USER MOD reduce.3.24.130724 H: found=0, std=0, add=972, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 972 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 116 SER OG : rot 70:sc= 0.176 USER MOD Set 1.2: A 118 THR OG1 : rot 131:sc= 0.628 USER MOD Set 2.1: A 84 MET CE :methyl 161:sc= -2.15 (180deg=-3.65) USER MOD Set 2.2: A 98 HIS : no HD1:sc= -0.191 K(o=-3.5,f=-8.1!) USER MOD Set 2.3: A 100 MET CE :methyl 168:sc= -0.835 (180deg=-0.21) USER MOD Set 2.4: A 112 MET CE :methyl -107:sc= -0.319 (180deg=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 ASN : amide:sc= -0.224 K(o=-0.22,f=-2.8!) USER MOD Single : A 10 LYS NZ :NH3+ -170:sc= -0.0426 (180deg=-0.215) USER MOD Single : A 13 SER OG : rot 83:sc= 1.01 USER MOD Single : A 21 HIS : no HE2:sc= 0.0103 K(o=0.01,f=-0.62) USER MOD Single : A 22 GLN : amide:sc= -2.67! K(o=-2.7!,f=-0.2) USER MOD Single : A 23 GLN : amide:sc= -1.35 K(o=-1.3,f=-5.8!) USER MOD Single : A 27 SER OG : rot 180:sc= -0.864 USER MOD Single : A 34 LYS NZ :NH3+ 169:sc= -0.0245 (180deg=-0.168) USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ 157:sc= 0.969 (180deg=0.601) USER MOD Single : A 42 LYS NZ :NH3+ -111:sc= 1.1 (180deg=-0.0533) USER MOD Single : A 44 THR OG1 : rot 77:sc= 0.122 USER MOD Single : A 56 HIS : no HD1:sc= -0.0607 X(o=-0.061,f=0) USER MOD Single : A 57 SER OG : rot 87:sc= 1.22 USER MOD Single : A 58 GLN : amide:sc= 0.231 X(o=0.23,f=0) USER MOD Single : A 59 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0256) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 GLN : amide:sc= 0.0263 X(o=0.026,f=0) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 MET CE :methyl -171:sc= -0.0824 (180deg=-0.146) USER MOD Single : A 73 GLN : amide:sc= -0.471 X(o=-0.47,f=-0.049) USER MOD Single : A 77 THR OG1 : rot 180:sc= 0.0805 USER MOD Single : A 78 LYS NZ :NH3+ -134:sc= -0.911 (180deg=-3.16!) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 GLN : amide:sc= 0.0715 X(o=0.071,f=-0.16) USER MOD Single : A 86 LYS NZ :NH3+ 147:sc= 0.203 (180deg=0.0539) USER MOD Single : A 88 LYS NZ :NH3+ -134:sc= -0.611 (180deg=-2.79!) USER MOD Single : A 89 LYS NZ :NH3+ 170:sc=-0.00844 (180deg=-0.105) USER MOD Single : A 90 SER OG : rot -63:sc= 0.408 USER MOD Single : A 101 THR OG1 : rot -67:sc= 1.37 USER MOD Single : A 107 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 113 THR OG1 : rot 180:sc= 0 USER MOD Single : A 117 LYS NZ :NH3+ 136:sc= -1.03 (180deg=-4.07!) USER MOD Single : A 119 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 71 N GLU A 5 -9.056 -4.657 3.818 1.00 0.00 N ATOM 72 CA GLU A 5 -7.844 -4.362 4.624 1.00 0.00 C ATOM 73 C GLU A 5 -7.512 -2.867 4.711 1.00 0.00 C ATOM 74 O GLU A 5 -6.863 -2.453 5.643 1.00 0.00 O ATOM 75 CB GLU A 5 -6.600 -5.124 4.068 1.00 0.00 C ATOM 76 CG GLU A 5 -6.764 -6.651 3.852 1.00 0.00 C ATOM 77 CD GLU A 5 -7.558 -7.023 2.577 1.00 0.00 C ATOM 78 OE1 GLU A 5 -7.040 -6.798 1.463 1.00 0.00 O ATOM 79 OE2 GLU A 5 -8.714 -7.496 2.684 1.00 0.00 O ATOM 0 HA GLU A 5 -8.080 -4.706 5.631 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -6.321 -4.673 3.116 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -5.767 -4.964 4.753 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -5.776 -7.109 3.799 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -7.267 -7.079 4.719 1.00 0.00 H new ATOM 86 N LYS A 6 -7.881 -2.122 3.667 1.00 0.00 N ATOM 87 CA LYS A 6 -7.772 -0.625 3.693 1.00 0.00 C ATOM 88 C LYS A 6 -8.295 0.000 5.037 1.00 0.00 C ATOM 89 O LYS A 6 -7.739 0.982 5.539 1.00 0.00 O ATOM 90 CB LYS A 6 -8.559 -0.025 2.507 1.00 0.00 C ATOM 91 CG LYS A 6 -8.051 -0.468 1.116 1.00 0.00 C ATOM 92 CD LYS A 6 -8.907 0.091 -0.041 1.00 0.00 C ATOM 93 CE LYS A 6 -10.377 -0.358 0.038 1.00 0.00 C ATOM 94 NZ LYS A 6 -11.179 0.161 -1.091 1.00 0.00 N ATOM 0 H LYS A 6 -8.254 -2.503 2.798 1.00 0.00 H new ATOM 0 HA LYS A 6 -6.713 -0.381 3.612 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -9.608 -0.305 2.604 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -8.512 1.062 2.568 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -7.019 -0.140 0.990 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -8.047 -1.557 1.066 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -8.863 1.180 -0.027 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -8.483 -0.233 -0.991 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -10.423 -1.447 0.044 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -10.810 -0.015 0.978 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -12.162 -0.166 -0.998 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -11.157 1.201 -1.083 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -10.782 -0.187 -1.987 1.00 0.00 H new ATOM 108 N ASN A 7 -9.341 -0.637 5.602 1.00 0.00 N ATOM 109 CA ASN A 7 -9.950 -0.219 6.887 1.00 0.00 C ATOM 110 C ASN A 7 -9.043 -0.633 8.072 1.00 0.00 C ATOM 111 O ASN A 7 -8.896 0.113 9.042 1.00 0.00 O ATOM 112 CB ASN A 7 -11.353 -0.871 7.045 1.00 0.00 C ATOM 113 CG ASN A 7 -12.342 -0.496 5.933 1.00 0.00 C ATOM 114 OD1 ASN A 7 -11.958 -0.135 4.827 1.00 0.00 O ATOM 115 ND2 ASN A 7 -13.634 -0.613 6.207 1.00 0.00 N ATOM 0 H ASN A 7 -9.788 -1.453 5.184 1.00 0.00 H new ATOM 0 HA ASN A 7 -10.056 0.866 6.887 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -11.239 -1.955 7.066 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -11.774 -0.576 8.006 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -14.328 -0.401 5.491 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -13.933 -0.915 7.134 1.00 0.00 H new ATOM 122 N GLU A 8 -8.471 -1.854 7.980 1.00 0.00 N ATOM 123 CA GLU A 8 -7.528 -2.414 8.987 1.00 0.00 C ATOM 124 C GLU A 8 -6.216 -1.605 9.059 1.00 0.00 C ATOM 125 O GLU A 8 -5.715 -1.316 10.154 1.00 0.00 O ATOM 126 CB GLU A 8 -7.209 -3.915 8.684 1.00 0.00 C ATOM 127 CG GLU A 8 -8.355 -4.919 8.955 1.00 0.00 C ATOM 128 CD GLU A 8 -9.508 -4.888 7.923 1.00 0.00 C ATOM 129 OE1 GLU A 8 -10.357 -3.980 7.974 1.00 0.00 O ATOM 130 OE2 GLU A 8 -9.584 -5.792 7.073 1.00 0.00 O ATOM 0 H GLU A 8 -8.649 -2.487 7.201 1.00 0.00 H new ATOM 0 HA GLU A 8 -8.023 -2.344 9.956 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -6.918 -4.000 7.637 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -6.345 -4.210 9.280 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -7.938 -5.926 8.981 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -8.767 -4.719 9.944 1.00 0.00 H new ATOM 137 N ILE A 9 -5.642 -1.302 7.891 1.00 0.00 N ATOM 138 CA ILE A 9 -4.463 -0.436 7.786 1.00 0.00 C ATOM 139 C ILE A 9 -4.772 0.973 8.334 1.00 0.00 C ATOM 140 O ILE A 9 -3.958 1.535 9.052 1.00 0.00 O ATOM 141 CB ILE A 9 -3.924 -0.376 6.306 1.00 0.00 C ATOM 142 CG1 ILE A 9 -3.586 -1.818 5.778 1.00 0.00 C ATOM 143 CG2 ILE A 9 -2.695 0.564 6.186 1.00 0.00 C ATOM 144 CD1 ILE A 9 -2.525 -2.577 6.575 1.00 0.00 C ATOM 0 H ILE A 9 -5.980 -1.649 6.993 1.00 0.00 H new ATOM 0 HA ILE A 9 -3.671 -0.867 8.398 1.00 0.00 H new ATOM 0 HB ILE A 9 -4.714 0.039 5.681 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -4.502 -2.408 5.772 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -3.251 -1.738 4.744 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -2.350 0.581 5.152 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -2.977 1.572 6.491 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -1.894 0.200 6.830 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -2.367 -3.558 6.128 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -1.590 -2.017 6.561 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -2.861 -2.697 7.605 1.00 0.00 H new ATOM 156 N LYS A 10 -5.967 1.504 8.021 1.00 0.00 N ATOM 157 CA LYS A 10 -6.466 2.779 8.605 1.00 0.00 C ATOM 158 C LYS A 10 -6.492 2.706 10.156 1.00 0.00 C ATOM 159 O LYS A 10 -6.169 3.671 10.824 1.00 0.00 O ATOM 160 CB LYS A 10 -7.888 3.091 8.053 1.00 0.00 C ATOM 161 CG LYS A 10 -8.651 4.244 8.754 1.00 0.00 C ATOM 162 CD LYS A 10 -8.036 5.641 8.525 1.00 0.00 C ATOM 163 CE LYS A 10 -8.815 6.742 9.268 1.00 0.00 C ATOM 164 NZ LYS A 10 -10.266 6.738 8.932 1.00 0.00 N ATOM 0 H LYS A 10 -6.615 1.072 7.363 1.00 0.00 H new ATOM 0 HA LYS A 10 -5.787 3.582 8.317 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -7.800 3.331 6.993 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -8.491 2.186 8.126 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -9.682 4.251 8.400 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -8.683 4.045 9.825 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -6.999 5.640 8.861 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -8.025 5.862 7.458 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -8.694 6.607 10.343 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -8.390 7.714 9.019 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -10.714 7.593 9.319 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -10.383 6.723 7.899 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -10.715 5.895 9.343 1.00 0.00 H new ATOM 178 N ARG A 11 -6.927 1.550 10.664 1.00 0.00 N ATOM 179 CA ARG A 11 -6.994 1.248 12.111 1.00 0.00 C ATOM 180 C ARG A 11 -5.609 1.372 12.812 1.00 0.00 C ATOM 181 O ARG A 11 -5.468 2.150 13.763 1.00 0.00 O ATOM 182 CB ARG A 11 -7.616 -0.151 12.328 1.00 0.00 C ATOM 183 CG ARG A 11 -7.755 -0.581 13.798 1.00 0.00 C ATOM 184 CD ARG A 11 -8.500 -1.916 13.945 1.00 0.00 C ATOM 185 NE ARG A 11 -9.898 -1.818 13.477 1.00 0.00 N ATOM 186 CZ ARG A 11 -10.913 -2.601 13.880 1.00 0.00 C ATOM 187 NH1 ARG A 11 -10.724 -3.548 14.794 1.00 0.00 N ATOM 188 NH2 ARG A 11 -12.119 -2.407 13.375 1.00 0.00 N ATOM 0 H ARG A 11 -7.250 0.780 10.078 1.00 0.00 H new ATOM 0 HA ARG A 11 -7.635 1.996 12.578 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -8.603 -0.169 11.865 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -7.006 -0.888 11.806 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -6.764 -0.669 14.244 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -8.287 0.193 14.352 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -7.980 -2.687 13.377 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -8.487 -2.226 14.990 1.00 0.00 H new ATOM 0 HE ARG A 11 -10.111 -1.095 12.790 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -9.799 -3.688 15.199 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -11.504 -4.134 15.090 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -12.271 -1.669 12.687 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -12.897 -2.995 13.673 1.00 0.00 H new ATOM 202 N LEU A 12 -4.606 0.593 12.351 1.00 0.00 N ATOM 203 CA LEU A 12 -3.234 0.618 12.939 1.00 0.00 C ATOM 204 C LEU A 12 -2.532 1.988 12.723 1.00 0.00 C ATOM 205 O LEU A 12 -1.803 2.463 13.605 1.00 0.00 O ATOM 206 CB LEU A 12 -2.387 -0.593 12.413 1.00 0.00 C ATOM 207 CG LEU A 12 -2.323 -0.803 10.855 1.00 0.00 C ATOM 208 CD1 LEU A 12 -1.108 -0.103 10.202 1.00 0.00 C ATOM 209 CD2 LEU A 12 -2.377 -2.300 10.468 1.00 0.00 C ATOM 0 H LEU A 12 -4.713 -0.062 11.576 1.00 0.00 H new ATOM 0 HA LEU A 12 -3.324 0.503 14.019 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -1.367 -0.477 12.780 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -2.785 -1.504 12.861 1.00 0.00 H new ATOM 0 HG LEU A 12 -3.216 -0.323 10.455 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -1.118 -0.284 9.127 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -1.162 0.969 10.390 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -0.187 -0.500 10.628 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -2.330 -2.397 9.383 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -1.532 -2.822 10.916 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -3.307 -2.736 10.832 1.00 0.00 H new ATOM 221 N SER A 13 -2.703 2.550 11.511 1.00 0.00 N ATOM 222 CA SER A 13 -2.308 3.956 11.229 1.00 0.00 C ATOM 223 C SER A 13 -2.868 4.925 12.301 1.00 0.00 C ATOM 224 O SER A 13 -2.111 5.648 12.924 1.00 0.00 O ATOM 225 CB SER A 13 -2.766 4.389 9.814 1.00 0.00 C ATOM 226 OG SER A 13 -2.137 3.606 8.813 1.00 0.00 O ATOM 0 H SER A 13 -3.108 2.062 10.713 1.00 0.00 H new ATOM 0 HA SER A 13 -1.220 4.004 11.267 1.00 0.00 H new ATOM 0 HB2 SER A 13 -3.848 4.289 9.732 1.00 0.00 H new ATOM 0 HB3 SER A 13 -2.531 5.442 9.658 1.00 0.00 H new ATOM 0 HG SER A 13 -2.625 2.763 8.703 1.00 0.00 H new ATOM 232 N ASP A 14 -4.203 4.923 12.460 1.00 0.00 N ATOM 233 CA ASP A 14 -4.928 5.738 13.489 1.00 0.00 C ATOM 234 C ASP A 14 -4.410 5.479 14.928 1.00 0.00 C ATOM 235 O ASP A 14 -4.391 6.392 15.766 1.00 0.00 O ATOM 236 CB ASP A 14 -6.449 5.423 13.410 1.00 0.00 C ATOM 237 CG ASP A 14 -7.321 6.321 14.304 1.00 0.00 C ATOM 238 OD1 ASP A 14 -7.599 7.473 13.908 1.00 0.00 O ATOM 239 OD2 ASP A 14 -7.733 5.886 15.404 1.00 0.00 O ATOM 0 H ASP A 14 -4.826 4.358 11.882 1.00 0.00 H new ATOM 0 HA ASP A 14 -4.743 6.790 13.269 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -6.778 5.528 12.376 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -6.609 4.382 13.692 1.00 0.00 H new ATOM 244 N ARG A 15 -3.994 4.224 15.163 1.00 0.00 N ATOM 245 CA ARG A 15 -3.443 3.800 16.466 1.00 0.00 C ATOM 246 C ARG A 15 -2.145 4.587 16.768 1.00 0.00 C ATOM 247 O ARG A 15 -2.058 5.331 17.762 1.00 0.00 O ATOM 248 CB ARG A 15 -3.187 2.263 16.498 1.00 0.00 C ATOM 249 CG ARG A 15 -2.617 1.738 17.836 1.00 0.00 C ATOM 250 CD ARG A 15 -3.544 2.024 19.027 1.00 0.00 C ATOM 251 NE ARG A 15 -2.885 1.764 20.322 1.00 0.00 N ATOM 252 CZ ARG A 15 -3.081 2.475 21.447 1.00 0.00 C ATOM 253 NH1 ARG A 15 -3.908 3.511 21.459 1.00 0.00 N ATOM 254 NH2 ARG A 15 -2.420 2.162 22.552 1.00 0.00 N ATOM 0 H ARG A 15 -4.028 3.480 14.466 1.00 0.00 H new ATOM 0 HA ARG A 15 -4.176 4.022 17.242 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -4.124 1.747 16.289 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -2.495 2.005 15.696 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -2.452 0.663 17.759 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -1.646 2.198 18.018 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -3.870 3.063 18.990 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -4.438 1.406 18.946 1.00 0.00 H new ATOM 0 HE ARG A 15 -2.229 0.984 20.367 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -4.404 3.777 20.609 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -4.048 4.042 22.319 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -1.763 1.382 22.549 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -2.569 2.701 23.405 1.00 0.00 H new ATOM 268 N LEU A 16 -1.169 4.445 15.857 1.00 0.00 N ATOM 269 CA LEU A 16 0.148 5.086 15.977 1.00 0.00 C ATOM 270 C LEU A 16 0.002 6.626 15.927 1.00 0.00 C ATOM 271 O LEU A 16 0.647 7.327 16.698 1.00 0.00 O ATOM 272 CB LEU A 16 1.089 4.538 14.850 1.00 0.00 C ATOM 273 CG LEU A 16 2.635 4.835 14.955 1.00 0.00 C ATOM 274 CD1 LEU A 16 2.997 6.280 14.547 1.00 0.00 C ATOM 275 CD2 LEU A 16 3.183 4.495 16.360 1.00 0.00 C ATOM 0 H LEU A 16 -1.273 3.880 15.014 1.00 0.00 H new ATOM 0 HA LEU A 16 0.599 4.844 16.940 1.00 0.00 H new ATOM 0 HB2 LEU A 16 0.961 3.456 14.807 1.00 0.00 H new ATOM 0 HB3 LEU A 16 0.737 4.939 13.899 1.00 0.00 H new ATOM 0 HG LEU A 16 3.122 4.178 14.235 1.00 0.00 H new ATOM 0 HD11 LEU A 16 4.073 6.425 14.639 1.00 0.00 H new ATOM 0 HD12 LEU A 16 2.695 6.453 13.514 1.00 0.00 H new ATOM 0 HD13 LEU A 16 2.479 6.983 15.199 1.00 0.00 H new ATOM 0 HD21 LEU A 16 4.251 4.712 16.396 1.00 0.00 H new ATOM 0 HD22 LEU A 16 2.665 5.096 17.108 1.00 0.00 H new ATOM 0 HD23 LEU A 16 3.020 3.437 16.568 1.00 0.00 H new ATOM 287 N ASP A 17 -0.821 7.121 14.988 1.00 0.00 N ATOM 288 CA ASP A 17 -1.121 8.564 14.806 1.00 0.00 C ATOM 289 C ASP A 17 -1.597 9.245 16.116 1.00 0.00 C ATOM 290 O ASP A 17 -0.987 10.227 16.566 1.00 0.00 O ATOM 291 CB ASP A 17 -2.185 8.705 13.688 1.00 0.00 C ATOM 292 CG ASP A 17 -2.603 10.150 13.382 1.00 0.00 C ATOM 293 OD1 ASP A 17 -1.800 10.897 12.797 1.00 0.00 O ATOM 294 OD2 ASP A 17 -3.739 10.540 13.709 1.00 0.00 O ATOM 0 H ASP A 17 -1.308 6.525 14.319 1.00 0.00 H new ATOM 0 HA ASP A 17 -0.202 9.077 14.521 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -1.797 8.252 12.776 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -3.071 8.137 13.974 1.00 0.00 H new ATOM 299 N ALA A 18 -2.722 8.764 16.681 1.00 0.00 N ATOM 300 CA ALA A 18 -3.182 9.129 18.042 1.00 0.00 C ATOM 301 C ALA A 18 -2.046 9.096 19.088 1.00 0.00 C ATOM 302 O ALA A 18 -1.928 10.027 19.896 1.00 0.00 O ATOM 303 CB ALA A 18 -4.331 8.215 18.475 1.00 0.00 C ATOM 0 H ALA A 18 -3.342 8.108 16.206 1.00 0.00 H new ATOM 0 HA ALA A 18 -3.534 10.159 17.992 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -4.660 8.493 19.476 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -5.162 8.320 17.778 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -3.990 7.180 18.480 1.00 0.00 H new ATOM 309 N ILE A 19 -1.188 8.050 19.025 1.00 0.00 N ATOM 310 CA ILE A 19 -0.109 7.868 20.016 1.00 0.00 C ATOM 311 C ILE A 19 0.964 8.974 19.885 1.00 0.00 C ATOM 312 O ILE A 19 1.330 9.574 20.890 1.00 0.00 O ATOM 313 CB ILE A 19 0.530 6.418 19.977 1.00 0.00 C ATOM 314 CG1 ILE A 19 -0.453 5.377 20.611 1.00 0.00 C ATOM 315 CG2 ILE A 19 1.924 6.347 20.669 1.00 0.00 C ATOM 316 CD1 ILE A 19 0.115 3.973 20.759 1.00 0.00 C ATOM 0 H ILE A 19 -1.224 7.328 18.305 1.00 0.00 H new ATOM 0 HA ILE A 19 -0.570 7.964 20.999 1.00 0.00 H new ATOM 0 HB ILE A 19 0.694 6.172 18.928 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -0.757 5.737 21.594 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -1.353 5.327 19.998 1.00 0.00 H new ATOM 0 HG21 ILE A 19 2.309 5.329 20.609 1.00 0.00 H new ATOM 0 HG22 ILE A 19 2.614 7.026 20.168 1.00 0.00 H new ATOM 0 HG23 ILE A 19 1.826 6.637 21.715 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -0.636 3.322 21.206 1.00 0.00 H new ATOM 0 HD12 ILE A 19 0.392 3.587 19.778 1.00 0.00 H new ATOM 0 HD13 ILE A 19 0.997 4.003 21.399 1.00 0.00 H new ATOM 328 N ARG A 20 1.468 9.247 18.664 1.00 0.00 N ATOM 329 CA ARG A 20 2.498 10.280 18.425 1.00 0.00 C ATOM 330 C ARG A 20 2.000 11.710 18.725 1.00 0.00 C ATOM 331 O ARG A 20 2.797 12.528 19.177 1.00 0.00 O ATOM 332 CB ARG A 20 3.064 10.208 16.978 1.00 0.00 C ATOM 333 CG ARG A 20 2.020 10.427 15.864 1.00 0.00 C ATOM 334 CD ARG A 20 2.635 10.761 14.498 1.00 0.00 C ATOM 335 NE ARG A 20 3.362 12.046 14.537 1.00 0.00 N ATOM 336 CZ ARG A 20 3.672 12.806 13.475 1.00 0.00 C ATOM 337 NH1 ARG A 20 3.327 12.444 12.242 1.00 0.00 N ATOM 338 NH2 ARG A 20 4.320 13.947 13.659 1.00 0.00 N ATOM 0 H ARG A 20 1.174 8.759 17.818 1.00 0.00 H new ATOM 0 HA ARG A 20 3.301 10.058 19.128 1.00 0.00 H new ATOM 0 HB2 ARG A 20 3.850 10.956 16.873 1.00 0.00 H new ATOM 0 HB3 ARG A 20 3.530 9.233 16.833 1.00 0.00 H new ATOM 0 HG2 ARG A 20 1.410 9.528 15.768 1.00 0.00 H new ATOM 0 HG3 ARG A 20 1.351 11.236 16.159 1.00 0.00 H new ATOM 0 HD2 ARG A 20 3.316 9.964 14.199 1.00 0.00 H new ATOM 0 HD3 ARG A 20 1.849 10.808 13.744 1.00 0.00 H new ATOM 0 HE ARG A 20 3.655 12.386 15.453 1.00 0.00 H new ATOM 0 HH11 ARG A 20 2.817 11.574 12.090 1.00 0.00 H new ATOM 0 HH12 ARG A 20 3.573 13.037 11.449 1.00 0.00 H new ATOM 0 HH21 ARG A 20 4.579 14.240 14.601 1.00 0.00 H new ATOM 0 HH22 ARG A 20 4.560 14.532 12.859 1.00 0.00 H new ATOM 352 N HIS A 21 0.704 12.039 18.460 1.00 0.00 N ATOM 353 CA HIS A 21 0.108 13.350 18.834 1.00 0.00 C ATOM 354 C HIS A 21 0.053 13.509 20.359 1.00 0.00 C ATOM 355 O HIS A 21 0.346 14.579 20.906 1.00 0.00 O ATOM 356 CB HIS A 21 -1.329 13.461 18.249 1.00 0.00 C ATOM 357 CG HIS A 21 -1.853 14.877 18.122 1.00 0.00 C ATOM 358 ND1 HIS A 21 -1.893 15.776 19.170 1.00 0.00 N ATOM 359 CD2 HIS A 21 -2.337 15.547 17.047 1.00 0.00 C ATOM 360 CE1 HIS A 21 -2.380 16.924 18.745 1.00 0.00 C ATOM 361 NE2 HIS A 21 -2.654 16.815 17.465 1.00 0.00 N ATOM 0 H HIS A 21 0.053 11.411 17.988 1.00 0.00 H new ATOM 0 HA HIS A 21 0.735 14.142 18.423 1.00 0.00 H new ATOM 0 HB2 HIS A 21 -1.343 12.993 17.265 1.00 0.00 H new ATOM 0 HB3 HIS A 21 -2.009 12.892 18.882 1.00 0.00 H new ATOM 0 HD1 HIS A 21 -1.592 15.581 20.125 1.00 0.00 H new ATOM 0 HD2 HIS A 21 -2.452 15.155 16.047 1.00 0.00 H new ATOM 0 HE1 HIS A 21 -2.529 17.807 19.348 1.00 0.00 H new ATOM 370 N GLN A 22 -0.356 12.409 20.992 1.00 0.00 N ATOM 371 CA GLN A 22 -0.405 12.270 22.453 1.00 0.00 C ATOM 372 C GLN A 22 0.975 12.558 23.044 1.00 0.00 C ATOM 373 O GLN A 22 1.105 13.359 23.970 1.00 0.00 O ATOM 374 CB GLN A 22 -0.889 10.844 22.808 1.00 0.00 C ATOM 375 CG GLN A 22 -0.679 10.385 24.262 1.00 0.00 C ATOM 376 CD GLN A 22 -1.019 8.903 24.477 1.00 0.00 C ATOM 377 OE1 GLN A 22 -1.493 8.509 25.542 1.00 0.00 O ATOM 378 NE2 GLN A 22 -0.708 8.061 23.494 1.00 0.00 N ATOM 0 H GLN A 22 -0.669 11.573 20.498 1.00 0.00 H new ATOM 0 HA GLN A 22 -1.106 12.988 22.879 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -1.953 10.779 22.581 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -0.380 10.138 22.151 1.00 0.00 H new ATOM 0 HG2 GLN A 22 0.359 10.559 24.546 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -1.297 10.994 24.922 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -0.316 8.417 22.622 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -0.861 7.060 23.613 1.00 0.00 H new ATOM 387 N GLN A 23 2.010 11.950 22.443 1.00 0.00 N ATOM 388 CA GLN A 23 3.394 12.089 22.891 1.00 0.00 C ATOM 389 C GLN A 23 3.991 13.427 22.470 1.00 0.00 C ATOM 390 O GLN A 23 5.015 13.808 23.007 1.00 0.00 O ATOM 391 CB GLN A 23 4.258 10.951 22.323 1.00 0.00 C ATOM 392 CG GLN A 23 3.857 9.565 22.811 1.00 0.00 C ATOM 393 CD GLN A 23 4.771 8.475 22.271 1.00 0.00 C ATOM 394 OE1 GLN A 23 4.526 7.912 21.213 1.00 0.00 O ATOM 395 NE2 GLN A 23 5.838 8.183 22.998 1.00 0.00 N ATOM 0 H GLN A 23 1.904 11.346 21.628 1.00 0.00 H new ATOM 0 HA GLN A 23 3.387 12.040 23.980 1.00 0.00 H new ATOM 0 HB2 GLN A 23 4.199 10.973 21.235 1.00 0.00 H new ATOM 0 HB3 GLN A 23 5.299 11.132 22.590 1.00 0.00 H new ATOM 0 HG2 GLN A 23 3.877 9.546 23.901 1.00 0.00 H new ATOM 0 HG3 GLN A 23 2.831 9.358 22.508 1.00 0.00 H new ATOM 0 HE21 GLN A 23 6.008 8.675 23.875 1.00 0.00 H new ATOM 0 HE22 GLN A 23 6.490 7.466 22.681 1.00 0.00 H new ATOM 404 N ALA A 24 3.427 14.077 21.439 1.00 0.00 N ATOM 405 CA ALA A 24 3.810 15.455 21.076 1.00 0.00 C ATOM 406 C ALA A 24 3.437 16.434 22.194 1.00 0.00 C ATOM 407 O ALA A 24 4.302 17.167 22.689 1.00 0.00 O ATOM 408 CB ALA A 24 3.168 15.867 19.741 1.00 0.00 C ATOM 0 H ALA A 24 2.705 13.673 20.842 1.00 0.00 H new ATOM 0 HA ALA A 24 4.892 15.487 20.950 1.00 0.00 H new ATOM 0 HB1 ALA A 24 3.465 16.886 19.494 1.00 0.00 H new ATOM 0 HB2 ALA A 24 3.501 15.191 18.953 1.00 0.00 H new ATOM 0 HB3 ALA A 24 2.083 15.816 19.828 1.00 0.00 H new ATOM 414 N ASP A 25 2.142 16.459 22.577 1.00 0.00 N ATOM 415 CA ASP A 25 1.691 17.202 23.774 1.00 0.00 C ATOM 416 C ASP A 25 2.336 16.709 25.085 1.00 0.00 C ATOM 417 O ASP A 25 2.230 17.383 26.113 1.00 0.00 O ATOM 418 CB ASP A 25 0.148 17.115 23.867 1.00 0.00 C ATOM 419 CG ASP A 25 -0.552 17.808 22.684 1.00 0.00 C ATOM 420 OD1 ASP A 25 -0.808 19.029 22.756 1.00 0.00 O ATOM 421 OD2 ASP A 25 -0.825 17.139 21.664 1.00 0.00 O ATOM 0 H ASP A 25 1.395 15.976 22.078 1.00 0.00 H new ATOM 0 HA ASP A 25 2.013 18.236 23.655 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -0.153 16.068 23.900 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -0.183 17.572 24.800 1.00 0.00 H new ATOM 426 N LEU A 26 2.965 15.527 25.047 1.00 0.00 N ATOM 427 CA LEU A 26 3.816 15.087 26.165 1.00 0.00 C ATOM 428 C LEU A 26 5.301 15.338 25.849 1.00 0.00 C ATOM 429 O LEU A 26 5.691 15.603 24.719 1.00 0.00 O ATOM 430 CB LEU A 26 3.579 13.602 26.539 1.00 0.00 C ATOM 431 CG LEU A 26 2.134 13.208 26.996 1.00 0.00 C ATOM 432 CD1 LEU A 26 2.126 11.822 27.671 1.00 0.00 C ATOM 433 CD2 LEU A 26 1.494 14.273 27.913 1.00 0.00 C ATOM 0 H LEU A 26 2.904 14.868 24.271 1.00 0.00 H new ATOM 0 HA LEU A 26 3.535 15.683 27.033 1.00 0.00 H new ATOM 0 HB2 LEU A 26 3.841 12.989 25.677 1.00 0.00 H new ATOM 0 HB3 LEU A 26 4.271 13.339 27.339 1.00 0.00 H new ATOM 0 HG LEU A 26 1.522 13.157 26.096 1.00 0.00 H new ATOM 0 HD11 LEU A 26 1.110 11.573 27.979 1.00 0.00 H new ATOM 0 HD12 LEU A 26 2.486 11.072 26.967 1.00 0.00 H new ATOM 0 HD13 LEU A 26 2.776 11.840 28.546 1.00 0.00 H new ATOM 0 HD21 LEU A 26 0.493 13.951 28.201 1.00 0.00 H new ATOM 0 HD22 LEU A 26 2.106 14.399 28.806 1.00 0.00 H new ATOM 0 HD23 LEU A 26 1.430 15.222 27.380 1.00 0.00 H new ATOM 445 N SER A 27 6.092 15.335 26.905 1.00 0.00 N ATOM 446 CA SER A 27 7.552 15.400 26.817 1.00 0.00 C ATOM 447 C SER A 27 8.126 14.406 27.822 1.00 0.00 C ATOM 448 O SER A 27 7.426 13.981 28.743 1.00 0.00 O ATOM 449 CB SER A 27 8.044 16.837 27.110 1.00 0.00 C ATOM 450 OG SER A 27 9.458 16.945 27.066 1.00 0.00 O ATOM 0 H SER A 27 5.742 15.287 27.862 1.00 0.00 H new ATOM 0 HA SER A 27 7.887 15.142 25.812 1.00 0.00 H new ATOM 0 HB2 SER A 27 7.607 17.523 26.384 1.00 0.00 H new ATOM 0 HB3 SER A 27 7.689 17.146 28.093 1.00 0.00 H new ATOM 0 HG SER A 27 9.721 17.870 27.255 1.00 0.00 H new ATOM 456 N LEU A 28 9.388 14.013 27.616 1.00 0.00 N ATOM 457 CA LEU A 28 10.165 13.225 28.594 1.00 0.00 C ATOM 458 C LEU A 28 10.244 13.957 29.956 1.00 0.00 C ATOM 459 O LEU A 28 10.277 13.322 31.007 1.00 0.00 O ATOM 460 CB LEU A 28 11.604 12.902 28.060 1.00 0.00 C ATOM 461 CG LEU A 28 12.644 14.088 27.984 1.00 0.00 C ATOM 462 CD1 LEU A 28 14.055 13.579 27.634 1.00 0.00 C ATOM 463 CD2 LEU A 28 12.216 15.182 26.979 1.00 0.00 C ATOM 0 H LEU A 28 9.906 14.231 26.765 1.00 0.00 H new ATOM 0 HA LEU A 28 9.642 12.280 28.739 1.00 0.00 H new ATOM 0 HB2 LEU A 28 12.029 12.123 28.693 1.00 0.00 H new ATOM 0 HB3 LEU A 28 11.503 12.480 27.060 1.00 0.00 H new ATOM 0 HG LEU A 28 12.667 14.536 28.977 1.00 0.00 H new ATOM 0 HD11 LEU A 28 14.745 14.421 27.590 1.00 0.00 H new ATOM 0 HD12 LEU A 28 14.388 12.876 28.398 1.00 0.00 H new ATOM 0 HD13 LEU A 28 14.031 13.078 26.666 1.00 0.00 H new ATOM 0 HD21 LEU A 28 12.964 15.975 26.964 1.00 0.00 H new ATOM 0 HD22 LEU A 28 12.128 14.747 25.983 1.00 0.00 H new ATOM 0 HD23 LEU A 28 11.254 15.597 27.280 1.00 0.00 H new ATOM 475 N VAL A 29 10.249 15.309 29.904 1.00 0.00 N ATOM 476 CA VAL A 29 10.387 16.180 31.089 1.00 0.00 C ATOM 477 C VAL A 29 9.070 16.247 31.886 1.00 0.00 C ATOM 478 O VAL A 29 9.055 15.985 33.090 1.00 0.00 O ATOM 479 CB VAL A 29 10.840 17.640 30.681 1.00 0.00 C ATOM 480 CG1 VAL A 29 11.035 18.556 31.917 1.00 0.00 C ATOM 481 CG2 VAL A 29 12.127 17.597 29.826 1.00 0.00 C ATOM 0 H VAL A 29 10.157 15.828 29.031 1.00 0.00 H new ATOM 0 HA VAL A 29 11.158 15.741 31.722 1.00 0.00 H new ATOM 0 HB VAL A 29 10.037 18.070 30.082 1.00 0.00 H new ATOM 0 HG11 VAL A 29 11.346 19.548 31.589 1.00 0.00 H new ATOM 0 HG12 VAL A 29 10.096 18.633 32.465 1.00 0.00 H new ATOM 0 HG13 VAL A 29 11.801 18.132 32.567 1.00 0.00 H new ATOM 0 HG21 VAL A 29 12.419 18.612 29.557 1.00 0.00 H new ATOM 0 HG22 VAL A 29 12.928 17.128 30.397 1.00 0.00 H new ATOM 0 HG23 VAL A 29 11.942 17.021 28.919 1.00 0.00 H new ATOM 491 N GLU A 30 7.966 16.583 31.191 1.00 0.00 N ATOM 492 CA GLU A 30 6.653 16.810 31.846 1.00 0.00 C ATOM 493 C GLU A 30 5.962 15.476 32.194 1.00 0.00 C ATOM 494 O GLU A 30 5.188 15.404 33.147 1.00 0.00 O ATOM 495 CB GLU A 30 5.741 17.697 30.949 1.00 0.00 C ATOM 496 CG GLU A 30 5.317 17.053 29.616 1.00 0.00 C ATOM 497 CD GLU A 30 4.603 18.025 28.658 1.00 0.00 C ATOM 498 OE1 GLU A 30 3.380 18.225 28.796 1.00 0.00 O ATOM 499 OE2 GLU A 30 5.269 18.599 27.769 1.00 0.00 O ATOM 0 H GLU A 30 7.952 16.704 30.178 1.00 0.00 H new ATOM 0 HA GLU A 30 6.830 17.340 32.782 1.00 0.00 H new ATOM 0 HB2 GLU A 30 4.844 17.956 31.512 1.00 0.00 H new ATOM 0 HB3 GLU A 30 6.263 18.629 30.735 1.00 0.00 H new ATOM 0 HG2 GLU A 30 6.200 16.651 29.120 1.00 0.00 H new ATOM 0 HG3 GLU A 30 4.657 16.211 29.823 1.00 0.00 H new ATOM 506 N ALA A 31 6.242 14.437 31.397 1.00 0.00 N ATOM 507 CA ALA A 31 5.752 13.075 31.639 1.00 0.00 C ATOM 508 C ALA A 31 6.960 12.127 31.712 1.00 0.00 C ATOM 509 O ALA A 31 7.616 11.882 30.705 1.00 0.00 O ATOM 510 CB ALA A 31 4.763 12.660 30.533 1.00 0.00 C ATOM 0 H ALA A 31 6.819 14.519 30.560 1.00 0.00 H new ATOM 0 HA ALA A 31 5.211 13.027 32.584 1.00 0.00 H new ATOM 0 HB1 ALA A 31 4.407 11.648 30.724 1.00 0.00 H new ATOM 0 HB2 ALA A 31 3.917 13.347 30.525 1.00 0.00 H new ATOM 0 HB3 ALA A 31 5.265 12.691 29.566 1.00 0.00 H new ATOM 516 N ALA A 32 7.302 11.685 32.927 1.00 0.00 N ATOM 517 CA ALA A 32 8.380 10.704 33.142 1.00 0.00 C ATOM 518 C ALA A 32 7.931 9.292 32.703 1.00 0.00 C ATOM 519 O ALA A 32 8.196 8.877 31.567 1.00 0.00 O ATOM 520 CB ALA A 32 8.857 10.725 34.611 1.00 0.00 C ATOM 0 H ALA A 32 6.845 11.992 33.786 1.00 0.00 H new ATOM 0 HA ALA A 32 9.231 10.983 32.521 1.00 0.00 H new ATOM 0 HB1 ALA A 32 9.653 9.993 34.746 1.00 0.00 H new ATOM 0 HB2 ALA A 32 9.232 11.718 34.858 1.00 0.00 H new ATOM 0 HB3 ALA A 32 8.023 10.479 35.268 1.00 0.00 H new ATOM 526 N ASP A 33 7.203 8.599 33.599 1.00 0.00 N ATOM 527 CA ASP A 33 6.819 7.190 33.400 1.00 0.00 C ATOM 528 C ASP A 33 5.812 7.025 32.250 1.00 0.00 C ATOM 529 O ASP A 33 6.005 6.179 31.397 1.00 0.00 O ATOM 530 CB ASP A 33 6.238 6.585 34.699 1.00 0.00 C ATOM 531 CG ASP A 33 5.890 5.087 34.565 1.00 0.00 C ATOM 532 OD1 ASP A 33 6.814 4.248 34.611 1.00 0.00 O ATOM 533 OD2 ASP A 33 4.697 4.750 34.420 1.00 0.00 O ATOM 0 H ASP A 33 6.867 8.998 34.476 1.00 0.00 H new ATOM 0 HA ASP A 33 7.727 6.650 33.132 1.00 0.00 H new ATOM 0 HB2 ASP A 33 6.958 6.714 35.507 1.00 0.00 H new ATOM 0 HB3 ASP A 33 5.341 7.137 34.981 1.00 0.00 H new ATOM 538 N LYS A 34 4.712 7.807 32.280 1.00 0.00 N ATOM 539 CA LYS A 34 3.664 7.788 31.231 1.00 0.00 C ATOM 540 C LYS A 34 4.274 7.906 29.804 1.00 0.00 C ATOM 541 O LYS A 34 3.976 7.074 28.942 1.00 0.00 O ATOM 542 CB LYS A 34 2.616 8.917 31.514 1.00 0.00 C ATOM 543 CG LYS A 34 1.167 8.658 31.011 1.00 0.00 C ATOM 544 CD LYS A 34 1.044 8.584 29.478 1.00 0.00 C ATOM 545 CE LYS A 34 -0.398 8.413 28.986 1.00 0.00 C ATOM 546 NZ LYS A 34 -1.280 9.514 29.436 1.00 0.00 N ATOM 0 H LYS A 34 4.523 8.470 33.031 1.00 0.00 H new ATOM 0 HA LYS A 34 3.153 6.826 31.265 1.00 0.00 H new ATOM 0 HB2 LYS A 34 2.579 9.087 32.590 1.00 0.00 H new ATOM 0 HB3 LYS A 34 2.976 9.839 31.058 1.00 0.00 H new ATOM 0 HG2 LYS A 34 0.805 7.724 31.440 1.00 0.00 H new ATOM 0 HG3 LYS A 34 0.517 9.451 31.380 1.00 0.00 H new ATOM 0 HD2 LYS A 34 1.462 9.492 29.044 1.00 0.00 H new ATOM 0 HD3 LYS A 34 1.645 7.751 29.113 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -0.405 8.367 27.897 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -0.793 7.463 29.348 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -2.188 9.459 28.933 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -1.445 9.430 30.459 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -0.826 10.427 29.232 1.00 0.00 H new ATOM 560 N TYR A 35 5.159 8.903 29.600 1.00 0.00 N ATOM 561 CA TYR A 35 5.833 9.097 28.292 1.00 0.00 C ATOM 562 C TYR A 35 6.727 7.883 27.975 1.00 0.00 C ATOM 563 O TYR A 35 6.833 7.485 26.821 1.00 0.00 O ATOM 564 CB TYR A 35 6.675 10.392 28.267 1.00 0.00 C ATOM 565 CG TYR A 35 7.258 10.738 26.888 1.00 0.00 C ATOM 566 CD1 TYR A 35 6.464 11.325 25.902 1.00 0.00 C ATOM 567 CD2 TYR A 35 8.596 10.478 26.569 1.00 0.00 C ATOM 568 CE1 TYR A 35 6.976 11.627 24.657 1.00 0.00 C ATOM 569 CE2 TYR A 35 9.105 10.776 25.330 1.00 0.00 C ATOM 570 CZ TYR A 35 8.295 11.357 24.380 1.00 0.00 C ATOM 571 OH TYR A 35 8.807 11.651 23.135 1.00 0.00 O ATOM 0 H TYR A 35 5.424 9.582 30.314 1.00 0.00 H new ATOM 0 HA TYR A 35 5.058 9.190 27.531 1.00 0.00 H new ATOM 0 HB2 TYR A 35 6.055 11.222 28.605 1.00 0.00 H new ATOM 0 HB3 TYR A 35 7.493 10.294 28.981 1.00 0.00 H new ATOM 0 HD1 TYR A 35 5.429 11.547 26.118 1.00 0.00 H new ATOM 0 HD2 TYR A 35 9.241 10.034 27.313 1.00 0.00 H new ATOM 0 HE1 TYR A 35 6.344 12.073 23.904 1.00 0.00 H new ATOM 0 HE2 TYR A 35 10.137 10.556 25.101 1.00 0.00 H new ATOM 0 HH TYR A 35 9.754 11.400 23.103 1.00 0.00 H new ATOM 581 N ALA A 36 7.358 7.326 29.029 1.00 0.00 N ATOM 582 CA ALA A 36 8.215 6.132 28.911 1.00 0.00 C ATOM 583 C ALA A 36 7.420 4.925 28.370 1.00 0.00 C ATOM 584 O ALA A 36 7.873 4.256 27.444 1.00 0.00 O ATOM 585 CB ALA A 36 8.881 5.800 30.255 1.00 0.00 C ATOM 0 H ALA A 36 7.288 7.690 29.979 1.00 0.00 H new ATOM 0 HA ALA A 36 9.003 6.356 28.192 1.00 0.00 H new ATOM 0 HB1 ALA A 36 9.508 4.915 30.142 1.00 0.00 H new ATOM 0 HB2 ALA A 36 9.495 6.642 30.574 1.00 0.00 H new ATOM 0 HB3 ALA A 36 8.113 5.607 31.004 1.00 0.00 H new ATOM 591 N GLU A 37 6.227 4.657 28.943 1.00 0.00 N ATOM 592 CA GLU A 37 5.304 3.598 28.491 1.00 0.00 C ATOM 593 C GLU A 37 4.881 3.818 27.045 1.00 0.00 C ATOM 594 O GLU A 37 4.748 2.883 26.298 1.00 0.00 O ATOM 595 CB GLU A 37 4.032 3.548 29.393 1.00 0.00 C ATOM 596 CG GLU A 37 4.312 3.495 30.904 1.00 0.00 C ATOM 597 CD GLU A 37 5.318 2.401 31.304 1.00 0.00 C ATOM 598 OE1 GLU A 37 4.949 1.206 31.334 1.00 0.00 O ATOM 599 OE2 GLU A 37 6.492 2.730 31.570 1.00 0.00 O ATOM 0 H GLU A 37 5.874 5.179 29.745 1.00 0.00 H new ATOM 0 HA GLU A 37 5.838 2.651 28.565 1.00 0.00 H new ATOM 0 HB2 GLU A 37 3.420 4.425 29.182 1.00 0.00 H new ATOM 0 HB3 GLU A 37 3.442 2.674 29.117 1.00 0.00 H new ATOM 0 HG2 GLU A 37 4.692 4.463 31.229 1.00 0.00 H new ATOM 0 HG3 GLU A 37 3.374 3.326 31.434 1.00 0.00 H new ATOM 606 N LEU A 38 4.617 5.077 26.726 1.00 0.00 N ATOM 607 CA LEU A 38 4.242 5.483 25.363 1.00 0.00 C ATOM 608 C LEU A 38 5.380 5.244 24.338 1.00 0.00 C ATOM 609 O LEU A 38 5.105 4.923 23.187 1.00 0.00 O ATOM 610 CB LEU A 38 3.771 6.939 25.340 1.00 0.00 C ATOM 611 CG LEU A 38 2.476 7.243 26.137 1.00 0.00 C ATOM 612 CD1 LEU A 38 2.111 8.726 26.009 1.00 0.00 C ATOM 613 CD2 LEU A 38 1.308 6.322 25.711 1.00 0.00 C ATOM 0 H LEU A 38 4.654 5.847 27.394 1.00 0.00 H new ATOM 0 HA LEU A 38 3.411 4.847 25.058 1.00 0.00 H new ATOM 0 HB2 LEU A 38 4.572 7.566 25.732 1.00 0.00 H new ATOM 0 HB3 LEU A 38 3.614 7.234 24.302 1.00 0.00 H new ATOM 0 HG LEU A 38 2.666 7.030 27.189 1.00 0.00 H new ATOM 0 HD11 LEU A 38 1.200 8.926 26.573 1.00 0.00 H new ATOM 0 HD12 LEU A 38 2.924 9.336 26.403 1.00 0.00 H new ATOM 0 HD13 LEU A 38 1.949 8.972 24.959 1.00 0.00 H new ATOM 0 HD21 LEU A 38 0.420 6.568 26.293 1.00 0.00 H new ATOM 0 HD22 LEU A 38 1.099 6.467 24.651 1.00 0.00 H new ATOM 0 HD23 LEU A 38 1.582 5.282 25.888 1.00 0.00 H new ATOM 625 N GLU A 39 6.635 5.474 24.761 1.00 0.00 N ATOM 626 CA GLU A 39 7.844 5.082 23.998 1.00 0.00 C ATOM 627 C GLU A 39 7.890 3.564 23.745 1.00 0.00 C ATOM 628 O GLU A 39 8.323 3.127 22.682 1.00 0.00 O ATOM 629 CB GLU A 39 9.123 5.530 24.752 1.00 0.00 C ATOM 630 CG GLU A 39 9.338 7.052 24.830 1.00 0.00 C ATOM 631 CD GLU A 39 9.563 7.710 23.456 1.00 0.00 C ATOM 632 OE1 GLU A 39 10.703 7.690 22.956 1.00 0.00 O ATOM 633 OE2 GLU A 39 8.609 8.259 22.874 1.00 0.00 O ATOM 0 H GLU A 39 6.846 5.938 25.644 1.00 0.00 H new ATOM 0 HA GLU A 39 7.799 5.582 23.031 1.00 0.00 H new ATOM 0 HB2 GLU A 39 9.086 5.132 25.766 1.00 0.00 H new ATOM 0 HB3 GLU A 39 9.989 5.081 24.265 1.00 0.00 H new ATOM 0 HG2 GLU A 39 8.471 7.510 25.306 1.00 0.00 H new ATOM 0 HG3 GLU A 39 10.198 7.258 25.468 1.00 0.00 H new ATOM 640 N LYS A 40 7.472 2.782 24.751 1.00 0.00 N ATOM 641 CA LYS A 40 7.419 1.301 24.661 1.00 0.00 C ATOM 642 C LYS A 40 6.273 0.840 23.718 1.00 0.00 C ATOM 643 O LYS A 40 6.461 -0.045 22.890 1.00 0.00 O ATOM 644 CB LYS A 40 7.226 0.691 26.075 1.00 0.00 C ATOM 645 CG LYS A 40 8.288 1.140 27.100 1.00 0.00 C ATOM 646 CD LYS A 40 7.985 0.679 28.543 1.00 0.00 C ATOM 647 CE LYS A 40 8.926 1.339 29.572 1.00 0.00 C ATOM 648 NZ LYS A 40 8.633 0.914 30.964 1.00 0.00 N ATOM 0 H LYS A 40 7.160 3.149 25.650 1.00 0.00 H new ATOM 0 HA LYS A 40 8.363 0.949 24.244 1.00 0.00 H new ATOM 0 HB2 LYS A 40 6.238 0.965 26.446 1.00 0.00 H new ATOM 0 HB3 LYS A 40 7.247 -0.396 25.997 1.00 0.00 H new ATOM 0 HG2 LYS A 40 9.260 0.750 26.799 1.00 0.00 H new ATOM 0 HG3 LYS A 40 8.362 2.227 27.082 1.00 0.00 H new ATOM 0 HD2 LYS A 40 6.951 0.920 28.791 1.00 0.00 H new ATOM 0 HD3 LYS A 40 8.083 -0.405 28.605 1.00 0.00 H new ATOM 0 HE2 LYS A 40 9.958 1.088 29.329 1.00 0.00 H new ATOM 0 HE3 LYS A 40 8.836 2.423 29.500 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 9.479 1.048 31.553 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 7.852 1.486 31.345 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 8.362 -0.090 30.971 1.00 0.00 H new ATOM 662 N GLU A 41 5.072 1.399 23.959 1.00 0.00 N ATOM 663 CA GLU A 41 3.877 1.209 23.089 1.00 0.00 C ATOM 664 C GLU A 41 4.212 1.490 21.624 1.00 0.00 C ATOM 665 O GLU A 41 3.854 0.709 20.740 1.00 0.00 O ATOM 666 CB GLU A 41 2.705 2.135 23.544 1.00 0.00 C ATOM 667 CG GLU A 41 2.063 1.742 24.884 1.00 0.00 C ATOM 668 CD GLU A 41 1.462 0.326 24.858 1.00 0.00 C ATOM 669 OE1 GLU A 41 0.382 0.141 24.260 1.00 0.00 O ATOM 670 OE2 GLU A 41 2.075 -0.612 25.416 1.00 0.00 O ATOM 0 H GLU A 41 4.894 1.999 24.764 1.00 0.00 H new ATOM 0 HA GLU A 41 3.566 0.169 23.185 1.00 0.00 H new ATOM 0 HB2 GLU A 41 3.075 3.157 23.619 1.00 0.00 H new ATOM 0 HB3 GLU A 41 1.935 2.131 22.772 1.00 0.00 H new ATOM 0 HG2 GLU A 41 2.813 1.800 25.673 1.00 0.00 H new ATOM 0 HG3 GLU A 41 1.282 2.460 25.133 1.00 0.00 H new ATOM 677 N LYS A 42 4.902 2.610 21.409 1.00 0.00 N ATOM 678 CA LYS A 42 5.406 3.011 20.096 1.00 0.00 C ATOM 679 C LYS A 42 6.362 1.935 19.555 1.00 0.00 C ATOM 680 O LYS A 42 6.155 1.434 18.475 1.00 0.00 O ATOM 681 CB LYS A 42 6.148 4.362 20.190 1.00 0.00 C ATOM 682 CG LYS A 42 6.679 4.901 18.840 1.00 0.00 C ATOM 683 CD LYS A 42 7.728 6.023 19.018 1.00 0.00 C ATOM 684 CE LYS A 42 7.166 7.237 19.761 1.00 0.00 C ATOM 685 NZ LYS A 42 8.198 8.256 20.047 1.00 0.00 N ATOM 0 H LYS A 42 5.129 3.272 22.151 1.00 0.00 H new ATOM 0 HA LYS A 42 4.560 3.122 19.418 1.00 0.00 H new ATOM 0 HB2 LYS A 42 5.474 5.102 20.622 1.00 0.00 H new ATOM 0 HB3 LYS A 42 6.986 4.254 20.878 1.00 0.00 H new ATOM 0 HG2 LYS A 42 7.122 4.081 18.275 1.00 0.00 H new ATOM 0 HG3 LYS A 42 5.844 5.280 18.251 1.00 0.00 H new ATOM 0 HD2 LYS A 42 8.585 5.631 19.565 1.00 0.00 H new ATOM 0 HD3 LYS A 42 8.091 6.336 18.039 1.00 0.00 H new ATOM 0 HE2 LYS A 42 6.372 7.687 19.166 1.00 0.00 H new ATOM 0 HE3 LYS A 42 6.715 6.909 20.698 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 8.378 8.290 21.071 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 9.077 8.009 19.549 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 7.866 9.187 19.723 1.00 0.00 H new ATOM 699 N ALA A 43 7.390 1.602 20.356 1.00 0.00 N ATOM 700 CA ALA A 43 8.453 0.633 20.004 1.00 0.00 C ATOM 701 C ALA A 43 7.900 -0.732 19.533 1.00 0.00 C ATOM 702 O ALA A 43 8.289 -1.229 18.475 1.00 0.00 O ATOM 703 CB ALA A 43 9.402 0.446 21.192 1.00 0.00 C ATOM 0 H ALA A 43 7.511 2.005 21.285 1.00 0.00 H new ATOM 0 HA ALA A 43 8.998 1.052 19.158 1.00 0.00 H new ATOM 0 HB1 ALA A 43 10.181 -0.268 20.926 1.00 0.00 H new ATOM 0 HB2 ALA A 43 9.858 1.403 21.448 1.00 0.00 H new ATOM 0 HB3 ALA A 43 8.843 0.070 22.049 1.00 0.00 H new ATOM 709 N THR A 44 6.966 -1.322 20.303 1.00 0.00 N ATOM 710 CA THR A 44 6.299 -2.599 20.017 1.00 0.00 C ATOM 711 C THR A 44 5.376 -2.472 18.798 1.00 0.00 C ATOM 712 O THR A 44 5.272 -3.399 18.008 1.00 0.00 O ATOM 713 CB THR A 44 5.500 -3.083 21.265 1.00 0.00 C ATOM 714 OG1 THR A 44 6.388 -3.155 22.395 1.00 0.00 O ATOM 715 CG2 THR A 44 4.823 -4.458 21.058 1.00 0.00 C ATOM 0 H THR A 44 6.645 -0.902 21.176 1.00 0.00 H new ATOM 0 HA THR A 44 7.063 -3.341 19.785 1.00 0.00 H new ATOM 0 HB THR A 44 4.703 -2.359 21.437 1.00 0.00 H new ATOM 0 HG1 THR A 44 6.550 -2.253 22.742 1.00 0.00 H new ATOM 0 HG21 THR A 44 4.283 -4.738 21.963 1.00 0.00 H new ATOM 0 HG22 THR A 44 4.125 -4.398 20.223 1.00 0.00 H new ATOM 0 HG23 THR A 44 5.583 -5.209 20.842 1.00 0.00 H new ATOM 723 N LEU A 45 4.682 -1.323 18.708 1.00 0.00 N ATOM 724 CA LEU A 45 3.940 -1.004 17.469 1.00 0.00 C ATOM 725 C LEU A 45 4.885 -1.083 16.255 1.00 0.00 C ATOM 726 O LEU A 45 4.623 -1.839 15.346 1.00 0.00 O ATOM 727 CB LEU A 45 3.204 0.361 17.498 1.00 0.00 C ATOM 728 CG LEU A 45 1.840 0.395 18.261 1.00 0.00 C ATOM 729 CD1 LEU A 45 1.209 1.796 18.190 1.00 0.00 C ATOM 730 CD2 LEU A 45 0.858 -0.681 17.729 1.00 0.00 C ATOM 0 H LEU A 45 4.617 -0.622 19.446 1.00 0.00 H new ATOM 0 HA LEU A 45 3.155 -1.755 17.385 1.00 0.00 H new ATOM 0 HB2 LEU A 45 3.868 1.098 17.950 1.00 0.00 H new ATOM 0 HB3 LEU A 45 3.029 0.678 16.470 1.00 0.00 H new ATOM 0 HG LEU A 45 2.044 0.162 19.306 1.00 0.00 H new ATOM 0 HD11 LEU A 45 0.261 1.796 18.728 1.00 0.00 H new ATOM 0 HD12 LEU A 45 1.883 2.522 18.644 1.00 0.00 H new ATOM 0 HD13 LEU A 45 1.035 2.064 17.148 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -0.078 -0.626 18.284 1.00 0.00 H new ATOM 0 HD22 LEU A 45 0.663 -0.505 16.671 1.00 0.00 H new ATOM 0 HD23 LEU A 45 1.298 -1.670 17.857 1.00 0.00 H new ATOM 742 N GLU A 46 6.017 -0.355 16.280 1.00 0.00 N ATOM 743 CA GLU A 46 7.022 -0.320 15.205 1.00 0.00 C ATOM 744 C GLU A 46 7.687 -1.693 14.976 1.00 0.00 C ATOM 745 O GLU A 46 8.079 -2.004 13.847 1.00 0.00 O ATOM 746 CB GLU A 46 8.105 0.736 15.519 1.00 0.00 C ATOM 747 CG GLU A 46 7.560 2.157 15.712 1.00 0.00 C ATOM 748 CD GLU A 46 8.669 3.197 15.940 1.00 0.00 C ATOM 749 OE1 GLU A 46 9.202 3.270 17.068 1.00 0.00 O ATOM 750 OE2 GLU A 46 9.033 3.928 14.989 1.00 0.00 O ATOM 0 H GLU A 46 6.263 0.241 17.071 1.00 0.00 H new ATOM 0 HA GLU A 46 6.497 -0.051 14.288 1.00 0.00 H new ATOM 0 HB2 GLU A 46 8.637 0.437 16.422 1.00 0.00 H new ATOM 0 HB3 GLU A 46 8.834 0.745 14.708 1.00 0.00 H new ATOM 0 HG2 GLU A 46 6.978 2.440 14.835 1.00 0.00 H new ATOM 0 HG3 GLU A 46 6.879 2.167 16.563 1.00 0.00 H new ATOM 757 N ALA A 47 7.726 -2.533 16.027 1.00 0.00 N ATOM 758 CA ALA A 47 8.392 -3.847 16.015 1.00 0.00 C ATOM 759 C ALA A 47 7.493 -4.840 15.284 1.00 0.00 C ATOM 760 O ALA A 47 7.912 -5.480 14.340 1.00 0.00 O ATOM 761 CB ALA A 47 8.700 -4.317 17.448 1.00 0.00 C ATOM 0 H ALA A 47 7.289 -2.314 16.922 1.00 0.00 H new ATOM 0 HA ALA A 47 9.346 -3.774 15.493 1.00 0.00 H new ATOM 0 HB1 ALA A 47 9.192 -5.289 17.414 1.00 0.00 H new ATOM 0 HB2 ALA A 47 9.356 -3.595 17.934 1.00 0.00 H new ATOM 0 HB3 ALA A 47 7.771 -4.400 18.011 1.00 0.00 H new ATOM 767 N GLU A 48 6.233 -4.894 15.731 1.00 0.00 N ATOM 768 CA GLU A 48 5.112 -5.645 15.155 1.00 0.00 C ATOM 769 C GLU A 48 4.913 -5.280 13.674 1.00 0.00 C ATOM 770 O GLU A 48 5.071 -6.116 12.802 1.00 0.00 O ATOM 771 CB GLU A 48 3.833 -5.277 15.982 1.00 0.00 C ATOM 772 CG GLU A 48 2.474 -5.768 15.433 1.00 0.00 C ATOM 773 CD GLU A 48 2.210 -7.263 15.651 1.00 0.00 C ATOM 774 OE1 GLU A 48 2.428 -7.755 16.778 1.00 0.00 O ATOM 775 OE2 GLU A 48 1.747 -7.946 14.719 1.00 0.00 O ATOM 0 H GLU A 48 5.950 -4.377 16.564 1.00 0.00 H new ATOM 0 HA GLU A 48 5.310 -6.716 15.201 1.00 0.00 H new ATOM 0 HB2 GLU A 48 3.955 -5.676 16.989 1.00 0.00 H new ATOM 0 HB3 GLU A 48 3.789 -4.192 16.072 1.00 0.00 H new ATOM 0 HG2 GLU A 48 1.676 -5.197 15.907 1.00 0.00 H new ATOM 0 HG3 GLU A 48 2.428 -5.554 14.365 1.00 0.00 H new ATOM 782 N ILE A 49 4.602 -3.991 13.466 1.00 0.00 N ATOM 783 CA ILE A 49 4.193 -3.514 12.133 1.00 0.00 C ATOM 784 C ILE A 49 5.315 -3.745 11.093 1.00 0.00 C ATOM 785 O ILE A 49 5.020 -4.283 10.036 1.00 0.00 O ATOM 786 CB ILE A 49 3.642 -2.024 12.093 1.00 0.00 C ATOM 787 CG1 ILE A 49 4.775 -0.969 12.328 1.00 0.00 C ATOM 788 CG2 ILE A 49 2.465 -1.850 13.097 1.00 0.00 C ATOM 789 CD1 ILE A 49 4.309 0.474 12.391 1.00 0.00 C ATOM 0 H ILE A 49 4.624 -3.271 14.188 1.00 0.00 H new ATOM 0 HA ILE A 49 3.332 -4.124 11.861 1.00 0.00 H new ATOM 0 HB ILE A 49 3.258 -1.838 11.090 1.00 0.00 H new ATOM 0 HG12 ILE A 49 5.287 -1.210 13.260 1.00 0.00 H new ATOM 0 HG13 ILE A 49 5.509 -1.063 11.528 1.00 0.00 H new ATOM 0 HG21 ILE A 49 2.100 -0.824 13.056 1.00 0.00 H new ATOM 0 HG22 ILE A 49 1.657 -2.533 12.833 1.00 0.00 H new ATOM 0 HG23 ILE A 49 2.812 -2.072 14.106 1.00 0.00 H new ATOM 0 HD11 ILE A 49 5.166 1.126 12.556 1.00 0.00 H new ATOM 0 HD12 ILE A 49 3.825 0.742 11.451 1.00 0.00 H new ATOM 0 HD13 ILE A 49 3.600 0.592 13.210 1.00 0.00 H new ATOM 801 N ALA A 50 6.598 -3.362 11.363 1.00 0.00 N ATOM 802 CA ALA A 50 7.739 -3.598 10.456 1.00 0.00 C ATOM 803 C ALA A 50 8.119 -5.090 10.287 1.00 0.00 C ATOM 804 O ALA A 50 8.499 -5.493 9.192 1.00 0.00 O ATOM 805 CB ALA A 50 8.943 -2.787 10.945 1.00 0.00 C ATOM 0 H ALA A 50 6.860 -2.879 12.223 1.00 0.00 H new ATOM 0 HA ALA A 50 7.428 -3.268 9.465 1.00 0.00 H new ATOM 0 HB1 ALA A 50 9.790 -2.956 10.280 1.00 0.00 H new ATOM 0 HB2 ALA A 50 8.690 -1.727 10.948 1.00 0.00 H new ATOM 0 HB3 ALA A 50 9.207 -3.100 11.955 1.00 0.00 H new ATOM 811 N ARG A 51 8.064 -5.890 11.371 1.00 0.00 N ATOM 812 CA ARG A 51 8.350 -7.353 11.333 1.00 0.00 C ATOM 813 C ARG A 51 7.333 -8.057 10.416 1.00 0.00 C ATOM 814 O ARG A 51 7.677 -8.863 9.550 1.00 0.00 O ATOM 815 CB ARG A 51 8.293 -7.964 12.761 1.00 0.00 C ATOM 816 CG ARG A 51 8.957 -9.349 12.906 1.00 0.00 C ATOM 817 CD ARG A 51 10.486 -9.286 12.761 1.00 0.00 C ATOM 818 NE ARG A 51 11.114 -10.608 12.951 1.00 0.00 N ATOM 819 CZ ARG A 51 12.322 -10.970 12.501 1.00 0.00 C ATOM 820 NH1 ARG A 51 13.047 -10.160 11.746 1.00 0.00 N ATOM 821 NH2 ARG A 51 12.796 -12.164 12.797 1.00 0.00 N ATOM 0 H ARG A 51 7.821 -5.548 12.301 1.00 0.00 H new ATOM 0 HA ARG A 51 9.355 -7.501 10.939 1.00 0.00 H new ATOM 0 HB2 ARG A 51 8.773 -7.274 13.454 1.00 0.00 H new ATOM 0 HB3 ARG A 51 7.249 -8.045 13.063 1.00 0.00 H new ATOM 0 HG2 ARG A 51 8.704 -9.769 13.879 1.00 0.00 H new ATOM 0 HG3 ARG A 51 8.551 -10.024 12.152 1.00 0.00 H new ATOM 0 HD2 ARG A 51 10.741 -8.902 11.773 1.00 0.00 H new ATOM 0 HD3 ARG A 51 10.891 -8.584 13.490 1.00 0.00 H new ATOM 0 HE ARG A 51 10.582 -11.306 13.470 1.00 0.00 H new ATOM 0 HH11 ARG A 51 12.688 -9.239 11.496 1.00 0.00 H new ATOM 0 HH12 ARG A 51 13.965 -10.457 11.415 1.00 0.00 H new ATOM 0 HH21 ARG A 51 12.243 -12.806 13.366 1.00 0.00 H new ATOM 0 HH22 ARG A 51 13.715 -12.446 12.457 1.00 0.00 H new ATOM 835 N LEU A 52 6.073 -7.720 10.653 1.00 0.00 N ATOM 836 CA LEU A 52 4.937 -8.124 9.818 1.00 0.00 C ATOM 837 C LEU A 52 5.151 -7.637 8.381 1.00 0.00 C ATOM 838 O LEU A 52 4.986 -8.405 7.434 1.00 0.00 O ATOM 839 CB LEU A 52 3.592 -7.601 10.427 1.00 0.00 C ATOM 840 CG LEU A 52 2.890 -8.533 11.481 1.00 0.00 C ATOM 841 CD1 LEU A 52 2.091 -9.648 10.788 1.00 0.00 C ATOM 842 CD2 LEU A 52 3.895 -9.136 12.497 1.00 0.00 C ATOM 0 H LEU A 52 5.800 -7.144 11.449 1.00 0.00 H new ATOM 0 HA LEU A 52 4.872 -9.212 9.794 1.00 0.00 H new ATOM 0 HB2 LEU A 52 3.783 -6.637 10.898 1.00 0.00 H new ATOM 0 HB3 LEU A 52 2.893 -7.424 9.609 1.00 0.00 H new ATOM 0 HG LEU A 52 2.198 -7.905 12.042 1.00 0.00 H new ATOM 0 HD11 LEU A 52 1.616 -10.277 11.541 1.00 0.00 H new ATOM 0 HD12 LEU A 52 1.326 -9.205 10.150 1.00 0.00 H new ATOM 0 HD13 LEU A 52 2.763 -10.254 10.180 1.00 0.00 H new ATOM 0 HD21 LEU A 52 3.361 -9.772 13.203 1.00 0.00 H new ATOM 0 HD22 LEU A 52 4.638 -9.729 11.965 1.00 0.00 H new ATOM 0 HD23 LEU A 52 4.393 -8.331 13.038 1.00 0.00 H new ATOM 854 N ARG A 53 5.598 -6.380 8.203 1.00 0.00 N ATOM 855 CA ARG A 53 5.848 -5.786 6.893 1.00 0.00 C ATOM 856 C ARG A 53 7.252 -6.118 6.352 1.00 0.00 C ATOM 857 O ARG A 53 7.630 -5.557 5.351 1.00 0.00 O ATOM 858 CB ARG A 53 5.632 -4.248 6.947 1.00 0.00 C ATOM 859 CG ARG A 53 4.150 -3.788 7.009 1.00 0.00 C ATOM 860 CD ARG A 53 4.027 -2.271 7.249 1.00 0.00 C ATOM 861 NE ARG A 53 4.833 -1.499 6.282 1.00 0.00 N ATOM 862 CZ ARG A 53 5.182 -0.210 6.403 1.00 0.00 C ATOM 863 NH1 ARG A 53 4.754 0.528 7.422 1.00 0.00 N ATOM 864 NH2 ARG A 53 5.965 0.337 5.489 1.00 0.00 N ATOM 0 H ARG A 53 5.795 -5.748 8.979 1.00 0.00 H new ATOM 0 HA ARG A 53 5.131 -6.225 6.199 1.00 0.00 H new ATOM 0 HB2 ARG A 53 6.154 -3.855 7.819 1.00 0.00 H new ATOM 0 HB3 ARG A 53 6.098 -3.801 6.069 1.00 0.00 H new ATOM 0 HG2 ARG A 53 3.650 -4.049 6.077 1.00 0.00 H new ATOM 0 HG3 ARG A 53 3.637 -4.324 7.807 1.00 0.00 H new ATOM 0 HD2 ARG A 53 2.981 -1.974 7.171 1.00 0.00 H new ATOM 0 HD3 ARG A 53 4.350 -2.035 8.263 1.00 0.00 H new ATOM 0 HE ARG A 53 5.153 -1.990 5.447 1.00 0.00 H new ATOM 0 HH11 ARG A 53 4.148 0.116 8.131 1.00 0.00 H new ATOM 0 HH12 ARG A 53 5.032 1.507 7.495 1.00 0.00 H new ATOM 0 HH21 ARG A 53 6.297 -0.221 4.702 1.00 0.00 H new ATOM 0 HH22 ARG A 53 6.237 1.317 5.571 1.00 0.00 H new ATOM 878 N GLU A 54 8.039 -6.996 7.007 1.00 0.00 N ATOM 879 CA GLU A 54 9.220 -7.627 6.351 1.00 0.00 C ATOM 880 C GLU A 54 8.823 -9.029 5.878 1.00 0.00 C ATOM 881 O GLU A 54 9.380 -9.554 4.936 1.00 0.00 O ATOM 882 CB GLU A 54 10.483 -7.662 7.256 1.00 0.00 C ATOM 883 CG GLU A 54 10.499 -8.725 8.363 1.00 0.00 C ATOM 884 CD GLU A 54 11.820 -8.751 9.132 1.00 0.00 C ATOM 885 OE1 GLU A 54 11.990 -7.935 10.060 1.00 0.00 O ATOM 886 OE2 GLU A 54 12.712 -9.562 8.794 1.00 0.00 O ATOM 0 H GLU A 54 7.889 -7.285 7.973 1.00 0.00 H new ATOM 0 HA GLU A 54 9.505 -7.012 5.498 1.00 0.00 H new ATOM 0 HB2 GLU A 54 11.355 -7.817 6.620 1.00 0.00 H new ATOM 0 HB3 GLU A 54 10.598 -6.683 7.721 1.00 0.00 H new ATOM 0 HG2 GLU A 54 9.682 -8.533 9.058 1.00 0.00 H new ATOM 0 HG3 GLU A 54 10.319 -9.706 7.923 1.00 0.00 H new ATOM 893 N VAL A 55 7.808 -9.600 6.552 1.00 0.00 N ATOM 894 CA VAL A 55 7.079 -10.777 6.021 1.00 0.00 C ATOM 895 C VAL A 55 6.213 -10.284 4.835 1.00 0.00 C ATOM 896 O VAL A 55 5.882 -11.037 3.921 1.00 0.00 O ATOM 897 CB VAL A 55 6.186 -11.482 7.119 1.00 0.00 C ATOM 898 CG1 VAL A 55 5.501 -12.758 6.562 1.00 0.00 C ATOM 899 CG2 VAL A 55 7.021 -11.812 8.377 1.00 0.00 C ATOM 0 H VAL A 55 7.473 -9.272 7.458 1.00 0.00 H new ATOM 0 HA VAL A 55 7.795 -11.532 5.696 1.00 0.00 H new ATOM 0 HB VAL A 55 5.400 -10.783 7.403 1.00 0.00 H new ATOM 0 HG11 VAL A 55 4.895 -13.217 7.344 1.00 0.00 H new ATOM 0 HG12 VAL A 55 4.864 -12.490 5.719 1.00 0.00 H new ATOM 0 HG13 VAL A 55 6.262 -13.465 6.231 1.00 0.00 H new ATOM 0 HG21 VAL A 55 6.386 -12.296 9.119 1.00 0.00 H new ATOM 0 HG22 VAL A 55 7.838 -12.481 8.106 1.00 0.00 H new ATOM 0 HG23 VAL A 55 7.429 -10.892 8.795 1.00 0.00 H new ATOM 909 N HIS A 56 5.908 -8.964 4.872 1.00 0.00 N ATOM 910 CA HIS A 56 5.175 -8.277 3.788 1.00 0.00 C ATOM 911 C HIS A 56 6.123 -7.231 3.113 1.00 0.00 C ATOM 912 O HIS A 56 5.707 -6.128 2.759 1.00 0.00 O ATOM 913 CB HIS A 56 3.854 -7.618 4.297 1.00 0.00 C ATOM 914 CG HIS A 56 2.790 -8.578 4.800 1.00 0.00 C ATOM 915 ND1 HIS A 56 1.452 -8.467 4.471 1.00 0.00 N ATOM 916 CD2 HIS A 56 2.868 -9.644 5.634 1.00 0.00 C ATOM 917 CE1 HIS A 56 0.769 -9.416 5.081 1.00 0.00 C ATOM 918 NE2 HIS A 56 1.604 -10.144 5.789 1.00 0.00 N ATOM 0 H HIS A 56 6.162 -8.353 5.648 1.00 0.00 H new ATOM 0 HA HIS A 56 4.873 -9.016 3.046 1.00 0.00 H new ATOM 0 HB2 HIS A 56 4.102 -6.925 5.101 1.00 0.00 H new ATOM 0 HB3 HIS A 56 3.429 -7.026 3.486 1.00 0.00 H new ATOM 0 HD2 HIS A 56 3.766 -10.029 6.093 1.00 0.00 H new ATOM 0 HE1 HIS A 56 -0.298 -9.569 5.011 1.00 0.00 H new ATOM 0 HE2 HIS A 56 1.351 -10.950 6.361 1.00 0.00 H new ATOM 927 N SER A 57 7.427 -7.594 2.972 1.00 0.00 N ATOM 928 CA SER A 57 8.406 -6.898 2.073 1.00 0.00 C ATOM 929 C SER A 57 9.278 -7.944 1.367 1.00 0.00 C ATOM 930 O SER A 57 9.504 -7.852 0.155 1.00 0.00 O ATOM 931 CB SER A 57 9.287 -5.856 2.798 1.00 0.00 C ATOM 932 OG SER A 57 8.562 -4.665 3.055 1.00 0.00 O ATOM 0 H SER A 57 7.836 -8.380 3.478 1.00 0.00 H new ATOM 0 HA SER A 57 7.824 -6.333 1.345 1.00 0.00 H new ATOM 0 HB2 SER A 57 9.651 -6.273 3.737 1.00 0.00 H new ATOM 0 HB3 SER A 57 10.162 -5.629 2.189 1.00 0.00 H new ATOM 0 HG SER A 57 8.092 -4.747 3.911 1.00 0.00 H new ATOM 938 N GLN A 58 9.778 -8.937 2.134 1.00 0.00 N ATOM 939 CA GLN A 58 10.327 -10.183 1.553 1.00 0.00 C ATOM 940 C GLN A 58 9.243 -10.833 0.679 1.00 0.00 C ATOM 941 O GLN A 58 9.528 -11.348 -0.400 1.00 0.00 O ATOM 942 CB GLN A 58 10.807 -11.153 2.665 1.00 0.00 C ATOM 943 CG GLN A 58 11.983 -10.613 3.503 1.00 0.00 C ATOM 944 CD GLN A 58 12.321 -11.490 4.712 1.00 0.00 C ATOM 945 OE1 GLN A 58 13.126 -12.411 4.619 1.00 0.00 O ATOM 946 NE2 GLN A 58 11.712 -11.206 5.860 1.00 0.00 N ATOM 0 H GLN A 58 9.813 -8.901 3.153 1.00 0.00 H new ATOM 0 HA GLN A 58 11.197 -9.949 0.940 1.00 0.00 H new ATOM 0 HB2 GLN A 58 9.971 -11.370 3.329 1.00 0.00 H new ATOM 0 HB3 GLN A 58 11.104 -12.096 2.207 1.00 0.00 H new ATOM 0 HG2 GLN A 58 12.864 -10.529 2.867 1.00 0.00 H new ATOM 0 HG3 GLN A 58 11.742 -9.608 3.849 1.00 0.00 H new ATOM 0 HE21 GLN A 58 11.047 -10.434 5.907 1.00 0.00 H new ATOM 0 HE22 GLN A 58 11.910 -11.760 6.693 1.00 0.00 H new ATOM 955 N LYS A 59 7.986 -10.770 1.176 1.00 0.00 N ATOM 956 CA LYS A 59 6.778 -11.032 0.384 1.00 0.00 C ATOM 957 C LYS A 59 5.946 -9.731 0.334 1.00 0.00 C ATOM 958 O LYS A 59 4.916 -9.643 0.992 1.00 0.00 O ATOM 959 CB LYS A 59 5.925 -12.220 0.950 1.00 0.00 C ATOM 960 CG LYS A 59 6.632 -13.596 1.041 1.00 0.00 C ATOM 961 CD LYS A 59 7.595 -13.723 2.248 1.00 0.00 C ATOM 962 CE LYS A 59 8.223 -15.122 2.366 1.00 0.00 C ATOM 963 NZ LYS A 59 9.058 -15.461 1.186 1.00 0.00 N ATOM 0 H LYS A 59 7.788 -10.533 2.148 1.00 0.00 H new ATOM 0 HA LYS A 59 7.078 -11.336 -0.619 1.00 0.00 H new ATOM 0 HB2 LYS A 59 5.579 -11.947 1.947 1.00 0.00 H new ATOM 0 HB3 LYS A 59 5.039 -12.332 0.325 1.00 0.00 H new ATOM 0 HG2 LYS A 59 5.877 -14.379 1.106 1.00 0.00 H new ATOM 0 HG3 LYS A 59 7.191 -13.769 0.122 1.00 0.00 H new ATOM 0 HD2 LYS A 59 8.388 -12.981 2.154 1.00 0.00 H new ATOM 0 HD3 LYS A 59 7.052 -13.495 3.165 1.00 0.00 H new ATOM 0 HE2 LYS A 59 8.834 -15.170 3.267 1.00 0.00 H new ATOM 0 HE3 LYS A 59 7.433 -15.865 2.476 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 9.502 -16.390 1.330 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 8.461 -15.491 0.335 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 9.797 -14.739 1.065 1.00 0.00 H new ATOM 977 N LEU A 60 6.455 -8.726 -0.436 1.00 0.00 N ATOM 978 CA LEU A 60 5.951 -7.305 -0.499 1.00 0.00 C ATOM 979 C LEU A 60 4.413 -7.204 -0.356 1.00 0.00 C ATOM 980 O LEU A 60 3.888 -6.869 0.711 1.00 0.00 O ATOM 981 CB LEU A 60 6.454 -6.617 -1.828 1.00 0.00 C ATOM 982 CG LEU A 60 6.520 -5.034 -1.897 1.00 0.00 C ATOM 983 CD1 LEU A 60 7.129 -4.567 -3.242 1.00 0.00 C ATOM 984 CD2 LEU A 60 5.149 -4.339 -1.678 1.00 0.00 C ATOM 0 H LEU A 60 7.253 -8.879 -1.053 1.00 0.00 H new ATOM 0 HA LEU A 60 6.364 -6.772 0.357 1.00 0.00 H new ATOM 0 HB2 LEU A 60 7.454 -6.997 -2.037 1.00 0.00 H new ATOM 0 HB3 LEU A 60 5.808 -6.955 -2.638 1.00 0.00 H new ATOM 0 HG LEU A 60 7.163 -4.733 -1.070 1.00 0.00 H new ATOM 0 HD11 LEU A 60 7.164 -3.478 -3.267 1.00 0.00 H new ATOM 0 HD12 LEU A 60 8.139 -4.965 -3.342 1.00 0.00 H new ATOM 0 HD13 LEU A 60 6.513 -4.929 -4.065 1.00 0.00 H new ATOM 0 HD21 LEU A 60 5.275 -3.258 -1.740 1.00 0.00 H new ATOM 0 HD22 LEU A 60 4.448 -4.667 -2.446 1.00 0.00 H new ATOM 0 HD23 LEU A 60 4.760 -4.603 -0.695 1.00 0.00 H new ATOM 996 N SER A 61 3.725 -7.502 -1.443 1.00 0.00 N ATOM 997 CA SER A 61 2.264 -7.541 -1.520 1.00 0.00 C ATOM 998 C SER A 61 1.915 -8.664 -2.486 1.00 0.00 C ATOM 999 O SER A 61 2.808 -9.159 -3.151 1.00 0.00 O ATOM 1000 CB SER A 61 1.708 -6.175 -1.985 1.00 0.00 C ATOM 1001 OG SER A 61 0.287 -6.175 -2.028 1.00 0.00 O ATOM 0 H SER A 61 4.176 -7.732 -2.329 1.00 0.00 H new ATOM 0 HA SER A 61 1.812 -7.731 -0.546 1.00 0.00 H new ATOM 0 HB2 SER A 61 2.052 -5.392 -1.309 1.00 0.00 H new ATOM 0 HB3 SER A 61 2.102 -5.938 -2.973 1.00 0.00 H new ATOM 0 HG SER A 61 -0.031 -5.297 -2.324 1.00 0.00 H new ATOM 1007 N LYS A 62 0.644 -9.057 -2.575 1.00 0.00 N ATOM 1008 CA LYS A 62 0.236 -10.258 -3.332 1.00 0.00 C ATOM 1009 C LYS A 62 0.687 -10.187 -4.826 1.00 0.00 C ATOM 1010 O LYS A 62 1.693 -10.809 -5.211 1.00 0.00 O ATOM 1011 CB LYS A 62 -1.300 -10.442 -3.207 1.00 0.00 C ATOM 1012 CG LYS A 62 -1.811 -10.482 -1.750 1.00 0.00 C ATOM 1013 CD LYS A 62 -3.348 -10.425 -1.661 1.00 0.00 C ATOM 1014 CE LYS A 62 -3.841 -10.357 -0.212 1.00 0.00 C ATOM 1015 NZ LYS A 62 -5.320 -10.247 -0.126 1.00 0.00 N ATOM 0 H LYS A 62 -0.131 -8.563 -2.132 1.00 0.00 H new ATOM 0 HA LYS A 62 0.735 -11.128 -2.905 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -1.797 -9.627 -3.733 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -1.587 -11.367 -3.707 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -1.456 -11.394 -1.269 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -1.387 -9.644 -1.197 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -3.710 -9.554 -2.207 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -3.771 -11.304 -2.146 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -3.513 -11.248 0.324 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -3.385 -9.501 0.285 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -5.607 -10.204 0.873 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -5.633 -9.383 -0.614 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -5.757 -11.077 -0.576 1.00 0.00 H new ATOM 1029 N GLU A 63 -0.082 -9.446 -5.641 1.00 0.00 N ATOM 1030 CA GLU A 63 0.133 -9.212 -7.080 1.00 0.00 C ATOM 1031 C GLU A 63 1.593 -8.781 -7.423 1.00 0.00 C ATOM 1032 O GLU A 63 2.117 -9.201 -8.443 1.00 0.00 O ATOM 1033 CB GLU A 63 -0.884 -8.150 -7.596 1.00 0.00 C ATOM 1034 CG GLU A 63 -1.074 -8.127 -9.121 1.00 0.00 C ATOM 1035 CD GLU A 63 -1.694 -9.432 -9.649 1.00 0.00 C ATOM 1036 OE1 GLU A 63 -2.915 -9.632 -9.470 1.00 0.00 O ATOM 1037 OE2 GLU A 63 -0.974 -10.265 -10.227 1.00 0.00 O ATOM 0 H GLU A 63 -0.915 -8.968 -5.296 1.00 0.00 H new ATOM 0 HA GLU A 63 -0.030 -10.163 -7.587 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -1.850 -8.335 -7.126 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -0.554 -7.163 -7.270 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -1.713 -7.287 -9.393 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -0.110 -7.964 -9.603 1.00 0.00 H new ATOM 1044 N ALA A 64 2.228 -7.948 -6.559 1.00 0.00 N ATOM 1045 CA ALA A 64 3.656 -7.523 -6.715 1.00 0.00 C ATOM 1046 C ALA A 64 4.595 -8.749 -6.597 1.00 0.00 C ATOM 1047 O ALA A 64 5.439 -8.988 -7.450 1.00 0.00 O ATOM 1048 CB ALA A 64 4.021 -6.457 -5.649 1.00 0.00 C ATOM 0 H ALA A 64 1.773 -7.550 -5.737 1.00 0.00 H new ATOM 0 HA ALA A 64 3.783 -7.081 -7.703 1.00 0.00 H new ATOM 0 HB1 ALA A 64 5.062 -6.158 -5.775 1.00 0.00 H new ATOM 0 HB2 ALA A 64 3.376 -5.586 -5.769 1.00 0.00 H new ATOM 0 HB3 ALA A 64 3.882 -6.876 -4.653 1.00 0.00 H new ATOM 1054 N GLN A 65 4.468 -9.427 -5.443 1.00 0.00 N ATOM 1055 CA GLN A 65 5.242 -10.680 -5.166 1.00 0.00 C ATOM 1056 C GLN A 65 5.038 -11.728 -6.303 1.00 0.00 C ATOM 1057 O GLN A 65 5.924 -12.561 -6.554 1.00 0.00 O ATOM 1058 CB GLN A 65 4.856 -11.313 -3.787 1.00 0.00 C ATOM 1059 CG GLN A 65 6.037 -11.787 -2.911 1.00 0.00 C ATOM 1060 CD GLN A 65 7.013 -12.748 -3.590 1.00 0.00 C ATOM 1061 OE1 GLN A 65 6.824 -13.965 -3.574 1.00 0.00 O ATOM 1062 NE2 GLN A 65 8.084 -12.209 -4.166 1.00 0.00 N ATOM 0 H GLN A 65 3.847 -9.143 -4.685 1.00 0.00 H new ATOM 0 HA GLN A 65 6.294 -10.397 -5.127 1.00 0.00 H new ATOM 0 HB2 GLN A 65 4.279 -10.581 -3.221 1.00 0.00 H new ATOM 0 HB3 GLN A 65 4.200 -12.164 -3.970 1.00 0.00 H new ATOM 0 HG2 GLN A 65 6.591 -10.911 -2.574 1.00 0.00 H new ATOM 0 HG3 GLN A 65 5.636 -12.272 -2.021 1.00 0.00 H new ATOM 0 HE21 GLN A 65 8.210 -11.197 -4.162 1.00 0.00 H new ATOM 0 HE22 GLN A 65 8.779 -12.808 -4.612 1.00 0.00 H new ATOM 1071 N LYS A 66 3.911 -11.650 -7.042 1.00 0.00 N ATOM 1072 CA LYS A 66 3.573 -12.493 -8.188 1.00 0.00 C ATOM 1073 C LYS A 66 4.311 -12.001 -9.435 1.00 0.00 C ATOM 1074 O LYS A 66 4.790 -12.807 -10.199 1.00 0.00 O ATOM 1075 CB LYS A 66 2.034 -12.513 -8.387 1.00 0.00 C ATOM 1076 CG LYS A 66 1.542 -13.146 -9.711 1.00 0.00 C ATOM 1077 CD LYS A 66 0.011 -13.338 -9.728 1.00 0.00 C ATOM 1078 CE LYS A 66 -0.530 -13.769 -11.098 1.00 0.00 C ATOM 1079 NZ LYS A 66 -1.990 -14.001 -11.063 1.00 0.00 N ATOM 0 H LYS A 66 3.185 -10.963 -6.839 1.00 0.00 H new ATOM 0 HA LYS A 66 3.895 -13.518 -8.003 1.00 0.00 H new ATOM 0 HB2 LYS A 66 1.585 -13.056 -7.556 1.00 0.00 H new ATOM 0 HB3 LYS A 66 1.665 -11.489 -8.335 1.00 0.00 H new ATOM 0 HG2 LYS A 66 1.837 -12.512 -10.547 1.00 0.00 H new ATOM 0 HG3 LYS A 66 2.030 -14.110 -9.855 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -0.263 -14.087 -8.985 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -0.469 -12.405 -9.432 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -0.301 -13.001 -11.837 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -0.025 -14.680 -11.418 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -2.318 -14.290 -12.006 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -2.206 -14.751 -10.376 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -2.474 -13.125 -10.782 1.00 0.00 H new ATOM 1093 N LEU A 67 4.315 -10.669 -9.644 1.00 0.00 N ATOM 1094 CA LEU A 67 5.191 -9.998 -10.649 1.00 0.00 C ATOM 1095 C LEU A 67 6.650 -10.511 -10.515 1.00 0.00 C ATOM 1096 O LEU A 67 7.336 -10.765 -11.511 1.00 0.00 O ATOM 1097 CB LEU A 67 5.161 -8.445 -10.529 1.00 0.00 C ATOM 1098 CG LEU A 67 3.770 -7.754 -10.710 1.00 0.00 C ATOM 1099 CD1 LEU A 67 3.879 -6.215 -10.607 1.00 0.00 C ATOM 1100 CD2 LEU A 67 3.088 -8.181 -12.029 1.00 0.00 C ATOM 0 H LEU A 67 3.717 -10.023 -9.128 1.00 0.00 H new ATOM 0 HA LEU A 67 4.798 -10.253 -11.633 1.00 0.00 H new ATOM 0 HB2 LEU A 67 5.552 -8.172 -9.549 1.00 0.00 H new ATOM 0 HB3 LEU A 67 5.845 -8.033 -11.271 1.00 0.00 H new ATOM 0 HG LEU A 67 3.137 -8.092 -9.890 1.00 0.00 H new ATOM 0 HD11 LEU A 67 2.892 -5.771 -10.738 1.00 0.00 H new ATOM 0 HD12 LEU A 67 4.272 -5.943 -9.628 1.00 0.00 H new ATOM 0 HD13 LEU A 67 4.549 -5.845 -11.383 1.00 0.00 H new ATOM 0 HD21 LEU A 67 2.124 -7.680 -12.119 1.00 0.00 H new ATOM 0 HD22 LEU A 67 3.721 -7.904 -12.872 1.00 0.00 H new ATOM 0 HD23 LEU A 67 2.937 -9.261 -12.028 1.00 0.00 H new ATOM 1112 N MET A 68 7.061 -10.718 -9.255 1.00 0.00 N ATOM 1113 CA MET A 68 8.409 -11.196 -8.897 1.00 0.00 C ATOM 1114 C MET A 68 8.579 -12.707 -9.178 1.00 0.00 C ATOM 1115 O MET A 68 9.687 -13.155 -9.477 1.00 0.00 O ATOM 1116 CB MET A 68 8.721 -10.857 -7.414 1.00 0.00 C ATOM 1117 CG MET A 68 8.651 -9.358 -7.097 1.00 0.00 C ATOM 1118 SD MET A 68 9.113 -8.954 -5.402 1.00 0.00 S ATOM 1119 CE MET A 68 8.933 -7.165 -5.411 1.00 0.00 C ATOM 0 H MET A 68 6.462 -10.557 -8.446 1.00 0.00 H new ATOM 0 HA MET A 68 9.129 -10.677 -9.530 1.00 0.00 H new ATOM 0 HB2 MET A 68 8.017 -11.388 -6.773 1.00 0.00 H new ATOM 0 HB3 MET A 68 9.717 -11.225 -7.168 1.00 0.00 H new ATOM 0 HG2 MET A 68 9.307 -8.820 -7.781 1.00 0.00 H new ATOM 0 HG3 MET A 68 7.637 -9.003 -7.282 1.00 0.00 H new ATOM 0 HE1 MET A 68 9.185 -6.769 -4.427 1.00 0.00 H new ATOM 0 HE2 MET A 68 9.602 -6.736 -6.157 1.00 0.00 H new ATOM 0 HE3 MET A 68 7.903 -6.904 -5.654 1.00 0.00 H new ATOM 1129 N LYS A 69 7.478 -13.481 -9.075 1.00 0.00 N ATOM 1130 CA LYS A 69 7.463 -14.931 -9.440 1.00 0.00 C ATOM 1131 C LYS A 69 6.644 -15.202 -10.729 1.00 0.00 C ATOM 1132 O LYS A 69 6.148 -16.322 -10.928 1.00 0.00 O ATOM 1133 CB LYS A 69 6.926 -15.790 -8.253 1.00 0.00 C ATOM 1134 CG LYS A 69 5.454 -15.529 -7.892 1.00 0.00 C ATOM 1135 CD LYS A 69 4.933 -16.377 -6.709 1.00 0.00 C ATOM 1136 CE LYS A 69 3.458 -16.064 -6.392 1.00 0.00 C ATOM 1137 NZ LYS A 69 2.948 -16.830 -5.226 1.00 0.00 N ATOM 0 H LYS A 69 6.579 -13.132 -8.741 1.00 0.00 H new ATOM 0 HA LYS A 69 8.492 -15.223 -9.647 1.00 0.00 H new ATOM 0 HB2 LYS A 69 7.045 -16.845 -8.501 1.00 0.00 H new ATOM 0 HB3 LYS A 69 7.542 -15.598 -7.374 1.00 0.00 H new ATOM 0 HG2 LYS A 69 5.333 -14.473 -7.649 1.00 0.00 H new ATOM 0 HG3 LYS A 69 4.836 -15.728 -8.767 1.00 0.00 H new ATOM 0 HD2 LYS A 69 5.038 -17.436 -6.946 1.00 0.00 H new ATOM 0 HD3 LYS A 69 5.544 -16.186 -5.827 1.00 0.00 H new ATOM 0 HE2 LYS A 69 3.351 -14.997 -6.196 1.00 0.00 H new ATOM 0 HE3 LYS A 69 2.847 -16.290 -7.266 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 1.952 -16.582 -5.056 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 3.023 -17.849 -5.420 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 3.511 -16.596 -4.384 1.00 0.00 H new ATOM 1151 N MET A 70 6.523 -14.190 -11.618 1.00 0.00 N ATOM 1152 CA MET A 70 5.786 -14.338 -12.900 1.00 0.00 C ATOM 1153 C MET A 70 6.492 -15.346 -13.813 1.00 0.00 C ATOM 1154 O MET A 70 7.718 -15.489 -13.734 1.00 0.00 O ATOM 1155 CB MET A 70 5.615 -12.969 -13.640 1.00 0.00 C ATOM 1156 CG MET A 70 4.309 -12.231 -13.334 1.00 0.00 C ATOM 1157 SD MET A 70 2.855 -13.143 -13.879 1.00 0.00 S ATOM 1158 CE MET A 70 1.573 -11.907 -13.702 1.00 0.00 C ATOM 0 H MET A 70 6.924 -13.263 -11.474 1.00 0.00 H new ATOM 0 HA MET A 70 4.790 -14.710 -12.658 1.00 0.00 H new ATOM 0 HB2 MET A 70 6.452 -12.322 -13.375 1.00 0.00 H new ATOM 0 HB3 MET A 70 5.674 -13.143 -14.714 1.00 0.00 H new ATOM 0 HG2 MET A 70 4.240 -12.052 -12.261 1.00 0.00 H new ATOM 0 HG3 MET A 70 4.325 -11.255 -13.820 1.00 0.00 H new ATOM 0 HE1 MET A 70 0.598 -12.371 -13.849 1.00 0.00 H new ATOM 0 HE2 MET A 70 1.622 -11.473 -12.703 1.00 0.00 H new ATOM 0 HE3 MET A 70 1.718 -11.124 -14.446 1.00 0.00 H new ATOM 1168 N PRO A 71 5.730 -16.095 -14.665 1.00 0.00 N ATOM 1169 CA PRO A 71 6.330 -16.902 -15.716 1.00 0.00 C ATOM 1170 C PRO A 71 6.883 -16.022 -16.861 1.00 0.00 C ATOM 1171 O PRO A 71 8.098 -15.825 -16.936 1.00 0.00 O ATOM 1172 CB PRO A 71 5.192 -17.853 -16.165 1.00 0.00 C ATOM 1173 CG PRO A 71 3.932 -17.127 -15.822 1.00 0.00 C ATOM 1174 CD PRO A 71 4.252 -16.255 -14.623 1.00 0.00 C ATOM 0 HA PRO A 71 7.200 -17.464 -15.377 1.00 0.00 H new ATOM 0 HB2 PRO A 71 5.250 -18.063 -17.233 1.00 0.00 H new ATOM 0 HB3 PRO A 71 5.250 -18.811 -15.648 1.00 0.00 H new ATOM 0 HG2 PRO A 71 3.592 -16.522 -16.662 1.00 0.00 H new ATOM 0 HG3 PRO A 71 3.131 -17.828 -15.589 1.00 0.00 H new ATOM 0 HD2 PRO A 71 3.746 -15.292 -14.686 1.00 0.00 H new ATOM 0 HD3 PRO A 71 3.929 -16.724 -13.693 1.00 0.00 H new ATOM 1182 N PHE A 72 6.018 -15.504 -17.767 1.00 0.00 N ATOM 1183 CA PHE A 72 6.456 -14.872 -19.021 1.00 0.00 C ATOM 1184 C PHE A 72 6.447 -13.340 -18.826 1.00 0.00 C ATOM 1185 O PHE A 72 5.378 -12.738 -18.745 1.00 0.00 O ATOM 1186 CB PHE A 72 5.501 -15.264 -20.165 1.00 0.00 C ATOM 1187 CG PHE A 72 5.394 -16.773 -20.411 1.00 0.00 C ATOM 1188 CD1 PHE A 72 6.320 -17.438 -21.219 1.00 0.00 C ATOM 1189 CD2 PHE A 72 4.364 -17.519 -19.836 1.00 0.00 C ATOM 1190 CE1 PHE A 72 6.217 -18.800 -21.442 1.00 0.00 C ATOM 1191 CE2 PHE A 72 4.262 -18.880 -20.059 1.00 0.00 C ATOM 1192 CZ PHE A 72 5.188 -19.520 -20.866 1.00 0.00 C ATOM 0 H PHE A 72 5.006 -15.516 -17.644 1.00 0.00 H new ATOM 0 HA PHE A 72 7.461 -15.207 -19.278 1.00 0.00 H new ATOM 0 HB2 PHE A 72 4.508 -14.873 -19.943 1.00 0.00 H new ATOM 0 HB3 PHE A 72 5.836 -14.781 -21.083 1.00 0.00 H new ATOM 0 HD1 PHE A 72 7.126 -16.882 -21.675 1.00 0.00 H new ATOM 0 HD2 PHE A 72 3.636 -17.026 -19.208 1.00 0.00 H new ATOM 0 HE1 PHE A 72 6.942 -19.301 -22.067 1.00 0.00 H new ATOM 0 HE2 PHE A 72 3.461 -19.444 -19.604 1.00 0.00 H new ATOM 0 HZ PHE A 72 5.106 -20.582 -21.045 1.00 0.00 H new ATOM 1202 N GLN A 73 7.632 -12.713 -18.768 1.00 0.00 N ATOM 1203 CA GLN A 73 7.768 -11.262 -18.472 1.00 0.00 C ATOM 1204 C GLN A 73 8.893 -10.643 -19.314 1.00 0.00 C ATOM 1205 O GLN A 73 9.650 -11.364 -19.977 1.00 0.00 O ATOM 1206 CB GLN A 73 8.050 -10.999 -16.958 1.00 0.00 C ATOM 1207 CG GLN A 73 9.438 -11.481 -16.443 1.00 0.00 C ATOM 1208 CD GLN A 73 9.516 -12.977 -16.134 1.00 0.00 C ATOM 1209 OE1 GLN A 73 10.523 -13.637 -16.393 1.00 0.00 O ATOM 1210 NE2 GLN A 73 8.496 -13.501 -15.490 1.00 0.00 N ATOM 0 H GLN A 73 8.523 -13.186 -18.922 1.00 0.00 H new ATOM 0 HA GLN A 73 6.817 -10.794 -18.728 1.00 0.00 H new ATOM 0 HB2 GLN A 73 7.964 -9.929 -16.770 1.00 0.00 H new ATOM 0 HB3 GLN A 73 7.273 -11.489 -16.371 1.00 0.00 H new ATOM 0 HG2 GLN A 73 10.193 -11.238 -17.190 1.00 0.00 H new ATOM 0 HG3 GLN A 73 9.690 -10.923 -15.541 1.00 0.00 H new ATOM 0 HE21 GLN A 73 7.674 -12.932 -15.288 1.00 0.00 H new ATOM 0 HE22 GLN A 73 8.527 -14.476 -15.192 1.00 0.00 H new ATOM 1219 N ARG A 74 8.994 -9.300 -19.250 1.00 0.00 N ATOM 1220 CA ARG A 74 10.134 -8.539 -19.800 1.00 0.00 C ATOM 1221 C ARG A 74 9.994 -7.052 -19.407 1.00 0.00 C ATOM 1222 O ARG A 74 9.130 -6.684 -18.619 1.00 0.00 O ATOM 1223 CB ARG A 74 10.215 -8.675 -21.353 1.00 0.00 C ATOM 1224 CG ARG A 74 9.063 -7.983 -22.104 1.00 0.00 C ATOM 1225 CD ARG A 74 9.229 -8.028 -23.622 1.00 0.00 C ATOM 1226 NE ARG A 74 8.304 -7.107 -24.299 1.00 0.00 N ATOM 1227 CZ ARG A 74 7.830 -7.256 -25.538 1.00 0.00 C ATOM 1228 NH1 ARG A 74 8.034 -8.370 -26.225 1.00 0.00 N ATOM 1229 NH2 ARG A 74 7.134 -6.286 -26.086 1.00 0.00 N ATOM 0 H ARG A 74 8.285 -8.711 -18.814 1.00 0.00 H new ATOM 0 HA ARG A 74 11.054 -8.948 -19.382 1.00 0.00 H new ATOM 0 HB2 ARG A 74 11.161 -8.256 -21.695 1.00 0.00 H new ATOM 0 HB3 ARG A 74 10.222 -9.733 -21.615 1.00 0.00 H new ATOM 0 HG2 ARG A 74 8.121 -8.460 -21.833 1.00 0.00 H new ATOM 0 HG3 ARG A 74 8.999 -6.944 -21.782 1.00 0.00 H new ATOM 0 HD2 ARG A 74 10.255 -7.770 -23.883 1.00 0.00 H new ATOM 0 HD3 ARG A 74 9.055 -9.044 -23.977 1.00 0.00 H new ATOM 0 HE ARG A 74 7.999 -6.285 -23.778 1.00 0.00 H new ATOM 0 HH11 ARG A 74 8.563 -9.136 -25.809 1.00 0.00 H new ATOM 0 HH12 ARG A 74 7.662 -8.461 -27.170 1.00 0.00 H new ATOM 0 HH21 ARG A 74 6.959 -5.427 -25.565 1.00 0.00 H new ATOM 0 HH22 ARG A 74 6.768 -6.392 -27.032 1.00 0.00 H new ATOM 1243 N ALA A 75 10.896 -6.212 -19.912 1.00 0.00 N ATOM 1244 CA ALA A 75 10.755 -4.749 -19.800 1.00 0.00 C ATOM 1245 C ALA A 75 10.033 -4.128 -21.020 1.00 0.00 C ATOM 1246 O ALA A 75 9.693 -4.805 -21.997 1.00 0.00 O ATOM 1247 CB ALA A 75 12.120 -4.086 -19.557 1.00 0.00 C ATOM 0 H ALA A 75 11.736 -6.514 -20.405 1.00 0.00 H new ATOM 0 HA ALA A 75 10.121 -4.553 -18.935 1.00 0.00 H new ATOM 0 HB1 ALA A 75 11.991 -3.007 -19.478 1.00 0.00 H new ATOM 0 HB2 ALA A 75 12.551 -4.469 -18.632 1.00 0.00 H new ATOM 0 HB3 ALA A 75 12.787 -4.312 -20.389 1.00 0.00 H new ATOM 1253 N ILE A 76 9.854 -2.800 -20.922 1.00 0.00 N ATOM 1254 CA ILE A 76 9.062 -2.041 -21.921 1.00 0.00 C ATOM 1255 C ILE A 76 9.823 -0.765 -22.331 1.00 0.00 C ATOM 1256 O ILE A 76 9.915 0.201 -21.563 1.00 0.00 O ATOM 1257 CB ILE A 76 7.598 -1.678 -21.452 1.00 0.00 C ATOM 1258 CG1 ILE A 76 6.801 -2.921 -20.911 1.00 0.00 C ATOM 1259 CG2 ILE A 76 6.806 -1.007 -22.602 1.00 0.00 C ATOM 1260 CD1 ILE A 76 6.498 -4.022 -21.931 1.00 0.00 C ATOM 0 H ILE A 76 10.241 -2.229 -20.171 1.00 0.00 H new ATOM 0 HA ILE A 76 8.940 -2.705 -22.777 1.00 0.00 H new ATOM 0 HB ILE A 76 7.707 -0.978 -20.623 1.00 0.00 H new ATOM 0 HG12 ILE A 76 7.367 -3.360 -20.090 1.00 0.00 H new ATOM 0 HG13 ILE A 76 5.857 -2.569 -20.495 1.00 0.00 H new ATOM 0 HG21 ILE A 76 5.800 -0.765 -22.258 1.00 0.00 H new ATOM 0 HG22 ILE A 76 7.314 -0.093 -22.909 1.00 0.00 H new ATOM 0 HG23 ILE A 76 6.745 -1.690 -23.449 1.00 0.00 H new ATOM 0 HD11 ILE A 76 5.946 -4.826 -21.445 1.00 0.00 H new ATOM 0 HD12 ILE A 76 5.899 -3.610 -22.744 1.00 0.00 H new ATOM 0 HD13 ILE A 76 7.433 -4.414 -22.332 1.00 0.00 H new ATOM 1272 N THR A 77 10.371 -0.801 -23.554 1.00 0.00 N ATOM 1273 CA THR A 77 11.112 0.311 -24.173 1.00 0.00 C ATOM 1274 C THR A 77 10.144 1.373 -24.736 1.00 0.00 C ATOM 1275 O THR A 77 8.935 1.274 -24.551 1.00 0.00 O ATOM 1276 CB THR A 77 12.032 -0.240 -25.312 1.00 0.00 C ATOM 1277 OG1 THR A 77 11.239 -0.981 -26.253 1.00 0.00 O ATOM 1278 CG2 THR A 77 13.160 -1.131 -24.760 1.00 0.00 C ATOM 0 H THR A 77 10.311 -1.623 -24.155 1.00 0.00 H new ATOM 0 HA THR A 77 11.728 0.787 -23.410 1.00 0.00 H new ATOM 0 HB THR A 77 12.499 0.611 -25.807 1.00 0.00 H new ATOM 0 HG1 THR A 77 11.815 -1.325 -26.967 1.00 0.00 H new ATOM 0 HG21 THR A 77 13.775 -1.492 -25.584 1.00 0.00 H new ATOM 0 HG22 THR A 77 13.778 -0.552 -24.073 1.00 0.00 H new ATOM 0 HG23 THR A 77 12.727 -1.980 -24.231 1.00 0.00 H new ATOM 1286 N LYS A 78 10.680 2.326 -25.520 1.00 0.00 N ATOM 1287 CA LYS A 78 9.892 3.434 -26.098 1.00 0.00 C ATOM 1288 C LYS A 78 9.400 2.942 -27.467 1.00 0.00 C ATOM 1289 O LYS A 78 8.312 3.256 -27.913 1.00 0.00 O ATOM 1290 CB LYS A 78 10.773 4.694 -26.283 1.00 0.00 C ATOM 1291 CG LYS A 78 11.336 5.318 -24.996 1.00 0.00 C ATOM 1292 CD LYS A 78 12.334 6.485 -25.268 1.00 0.00 C ATOM 1293 CE LYS A 78 11.693 7.728 -25.945 1.00 0.00 C ATOM 1294 NZ LYS A 78 11.330 7.522 -27.383 1.00 0.00 N ATOM 0 H LYS A 78 11.668 2.351 -25.771 1.00 0.00 H new ATOM 0 HA LYS A 78 9.065 3.706 -25.442 1.00 0.00 H new ATOM 0 HB2 LYS A 78 11.609 4.436 -26.934 1.00 0.00 H new ATOM 0 HB3 LYS A 78 10.185 5.451 -26.803 1.00 0.00 H new ATOM 0 HG2 LYS A 78 10.511 5.688 -24.388 1.00 0.00 H new ATOM 0 HG3 LYS A 78 11.839 4.545 -24.415 1.00 0.00 H new ATOM 0 HD2 LYS A 78 12.783 6.791 -24.323 1.00 0.00 H new ATOM 0 HD3 LYS A 78 13.142 6.117 -25.901 1.00 0.00 H new ATOM 0 HE2 LYS A 78 10.797 8.008 -25.392 1.00 0.00 H new ATOM 0 HE3 LYS A 78 12.387 8.566 -25.873 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 11.652 8.337 -27.943 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 11.788 6.657 -27.736 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 10.298 7.428 -27.470 1.00 0.00 H new ATOM 1308 N LYS A 79 10.333 2.242 -28.117 1.00 0.00 N ATOM 1309 CA LYS A 79 10.069 1.373 -29.275 1.00 0.00 C ATOM 1310 C LYS A 79 8.803 0.500 -29.053 1.00 0.00 C ATOM 1311 O LYS A 79 7.959 0.393 -29.957 1.00 0.00 O ATOM 1312 CB LYS A 79 11.303 0.489 -29.596 1.00 0.00 C ATOM 1313 CG LYS A 79 12.506 1.269 -30.175 1.00 0.00 C ATOM 1314 CD LYS A 79 12.173 1.957 -31.523 1.00 0.00 C ATOM 1315 CE LYS A 79 11.926 0.965 -32.673 1.00 0.00 C ATOM 1316 NZ LYS A 79 11.563 1.670 -33.925 1.00 0.00 N ATOM 0 H LYS A 79 11.317 2.262 -27.849 1.00 0.00 H new ATOM 0 HA LYS A 79 9.879 2.016 -30.134 1.00 0.00 H new ATOM 0 HB2 LYS A 79 11.618 -0.020 -28.685 1.00 0.00 H new ATOM 0 HB3 LYS A 79 11.008 -0.283 -30.307 1.00 0.00 H new ATOM 0 HG2 LYS A 79 12.827 2.022 -29.456 1.00 0.00 H new ATOM 0 HG3 LYS A 79 13.344 0.586 -30.316 1.00 0.00 H new ATOM 0 HD2 LYS A 79 11.288 2.580 -31.395 1.00 0.00 H new ATOM 0 HD3 LYS A 79 12.994 2.621 -31.796 1.00 0.00 H new ATOM 0 HE2 LYS A 79 12.821 0.366 -32.837 1.00 0.00 H new ATOM 0 HE3 LYS A 79 11.128 0.276 -32.397 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 11.403 0.974 -34.681 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 10.695 2.222 -33.773 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 12.336 2.309 -34.200 1.00 0.00 H new ATOM 1330 N GLU A 80 8.659 -0.127 -27.861 1.00 0.00 N ATOM 1331 CA GLU A 80 7.456 -0.908 -27.511 1.00 0.00 C ATOM 1332 C GLU A 80 6.328 -0.027 -26.935 1.00 0.00 C ATOM 1333 O GLU A 80 5.171 -0.452 -26.911 1.00 0.00 O ATOM 1334 CB GLU A 80 7.802 -2.060 -26.536 1.00 0.00 C ATOM 1335 CG GLU A 80 8.538 -3.231 -27.209 1.00 0.00 C ATOM 1336 CD GLU A 80 7.756 -3.792 -28.415 1.00 0.00 C ATOM 1337 OE1 GLU A 80 6.670 -4.386 -28.213 1.00 0.00 O ATOM 1338 OE2 GLU A 80 8.206 -3.628 -29.571 1.00 0.00 O ATOM 0 H GLU A 80 9.366 -0.105 -27.126 1.00 0.00 H new ATOM 0 HA GLU A 80 7.083 -1.340 -28.440 1.00 0.00 H new ATOM 0 HB2 GLU A 80 8.420 -1.669 -25.728 1.00 0.00 H new ATOM 0 HB3 GLU A 80 6.883 -2.431 -26.083 1.00 0.00 H new ATOM 0 HG2 GLU A 80 9.522 -2.898 -27.539 1.00 0.00 H new ATOM 0 HG3 GLU A 80 8.698 -4.025 -26.480 1.00 0.00 H new ATOM 1345 N GLN A 81 6.652 1.212 -26.526 1.00 0.00 N ATOM 1346 CA GLN A 81 5.616 2.196 -26.137 1.00 0.00 C ATOM 1347 C GLN A 81 5.109 3.035 -27.310 1.00 0.00 C ATOM 1348 O GLN A 81 4.129 3.778 -27.130 1.00 0.00 O ATOM 1349 CB GLN A 81 6.160 3.138 -25.022 1.00 0.00 C ATOM 1350 CG GLN A 81 6.271 2.488 -23.634 1.00 0.00 C ATOM 1351 CD GLN A 81 6.928 3.391 -22.584 1.00 0.00 C ATOM 1352 OE1 GLN A 81 6.256 4.201 -21.944 1.00 0.00 O ATOM 1353 NE2 GLN A 81 8.227 3.229 -22.363 1.00 0.00 N ATOM 0 H GLN A 81 7.609 1.557 -26.455 1.00 0.00 H new ATOM 0 HA GLN A 81 4.769 1.619 -25.766 1.00 0.00 H new ATOM 0 HB2 GLN A 81 7.144 3.500 -25.319 1.00 0.00 H new ATOM 0 HB3 GLN A 81 5.508 4.009 -24.950 1.00 0.00 H new ATOM 0 HG2 GLN A 81 5.274 2.212 -23.291 1.00 0.00 H new ATOM 0 HG3 GLN A 81 6.846 1.566 -23.719 1.00 0.00 H new ATOM 0 HE21 GLN A 81 8.757 2.550 -22.910 1.00 0.00 H new ATOM 0 HE22 GLN A 81 8.695 3.784 -21.647 1.00 0.00 H new ATOM 1362 N ALA A 82 5.761 2.953 -28.499 1.00 0.00 N ATOM 1363 CA ALA A 82 5.416 3.803 -29.660 1.00 0.00 C ATOM 1364 C ALA A 82 3.969 3.563 -30.094 1.00 0.00 C ATOM 1365 O ALA A 82 3.295 4.477 -30.582 1.00 0.00 O ATOM 1366 CB ALA A 82 6.387 3.525 -30.822 1.00 0.00 C ATOM 0 H ALA A 82 6.529 2.305 -28.675 1.00 0.00 H new ATOM 0 HA ALA A 82 5.510 4.849 -29.369 1.00 0.00 H new ATOM 0 HB1 ALA A 82 6.126 4.155 -31.673 1.00 0.00 H new ATOM 0 HB2 ALA A 82 7.406 3.747 -30.505 1.00 0.00 H new ATOM 0 HB3 ALA A 82 6.317 2.477 -31.112 1.00 0.00 H new ATOM 1372 N ASP A 83 3.507 2.317 -29.904 1.00 0.00 N ATOM 1373 CA ASP A 83 2.087 1.982 -29.962 1.00 0.00 C ATOM 1374 C ASP A 83 1.790 0.954 -28.870 1.00 0.00 C ATOM 1375 O ASP A 83 2.149 -0.238 -28.980 1.00 0.00 O ATOM 1376 CB ASP A 83 1.621 1.486 -31.357 1.00 0.00 C ATOM 1377 CG ASP A 83 0.082 1.415 -31.460 1.00 0.00 C ATOM 1378 OD1 ASP A 83 -0.592 2.410 -31.102 1.00 0.00 O ATOM 1379 OD2 ASP A 83 -0.465 0.395 -31.907 1.00 0.00 O ATOM 0 H ASP A 83 4.111 1.519 -29.707 1.00 0.00 H new ATOM 0 HA ASP A 83 1.515 2.894 -29.789 1.00 0.00 H new ATOM 0 HB2 ASP A 83 2.006 2.155 -32.127 1.00 0.00 H new ATOM 0 HB3 ASP A 83 2.043 0.500 -31.551 1.00 0.00 H new ATOM 1384 N MET A 84 1.125 1.454 -27.818 1.00 0.00 N ATOM 1385 CA MET A 84 0.754 0.681 -26.639 1.00 0.00 C ATOM 1386 C MET A 84 -0.341 -0.331 -27.001 1.00 0.00 C ATOM 1387 O MET A 84 -0.466 -1.370 -26.363 1.00 0.00 O ATOM 1388 CB MET A 84 0.281 1.644 -25.501 1.00 0.00 C ATOM 1389 CG MET A 84 0.878 1.305 -24.152 1.00 0.00 C ATOM 1390 SD MET A 84 2.671 1.453 -24.201 1.00 0.00 S ATOM 1391 CE MET A 84 3.126 0.552 -22.742 1.00 0.00 C ATOM 0 H MET A 84 0.827 2.428 -27.769 1.00 0.00 H new ATOM 0 HA MET A 84 1.621 0.127 -26.278 1.00 0.00 H new ATOM 0 HB2 MET A 84 0.549 2.667 -25.764 1.00 0.00 H new ATOM 0 HB3 MET A 84 -0.806 1.608 -25.430 1.00 0.00 H new ATOM 0 HG2 MET A 84 0.473 1.972 -23.391 1.00 0.00 H new ATOM 0 HG3 MET A 84 0.599 0.290 -23.869 1.00 0.00 H new ATOM 0 HE1 MET A 84 4.175 0.263 -22.805 1.00 0.00 H new ATOM 0 HE2 MET A 84 2.975 1.180 -21.864 1.00 0.00 H new ATOM 0 HE3 MET A 84 2.508 -0.342 -22.659 1.00 0.00 H new ATOM 1401 N GLY A 85 -1.108 0.002 -28.057 1.00 0.00 N ATOM 1402 CA GLY A 85 -2.110 -0.890 -28.612 1.00 0.00 C ATOM 1403 C GLY A 85 -1.493 -2.166 -29.142 1.00 0.00 C ATOM 1404 O GLY A 85 -1.851 -3.255 -28.694 1.00 0.00 O ATOM 0 H GLY A 85 -1.040 0.898 -28.539 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -2.846 -1.133 -27.845 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -2.643 -0.383 -29.416 1.00 0.00 H new ATOM 1408 N LYS A 86 -0.568 -2.001 -30.111 1.00 0.00 N ATOM 1409 CA LYS A 86 0.198 -3.079 -30.762 1.00 0.00 C ATOM 1410 C LYS A 86 0.849 -3.994 -29.710 1.00 0.00 C ATOM 1411 O LYS A 86 0.631 -5.208 -29.715 1.00 0.00 O ATOM 1412 CB LYS A 86 1.261 -2.436 -31.716 1.00 0.00 C ATOM 1413 CG LYS A 86 2.110 -3.391 -32.604 1.00 0.00 C ATOM 1414 CD LYS A 86 3.349 -3.988 -31.898 1.00 0.00 C ATOM 1415 CE LYS A 86 4.365 -2.925 -31.433 1.00 0.00 C ATOM 1416 NZ LYS A 86 5.556 -3.557 -30.808 1.00 0.00 N ATOM 0 H LYS A 86 -0.327 -1.078 -30.473 1.00 0.00 H new ATOM 0 HA LYS A 86 -0.469 -3.706 -31.354 1.00 0.00 H new ATOM 0 HB2 LYS A 86 0.742 -1.739 -32.374 1.00 0.00 H new ATOM 0 HB3 LYS A 86 1.947 -1.848 -31.106 1.00 0.00 H new ATOM 0 HG2 LYS A 86 1.475 -4.207 -32.948 1.00 0.00 H new ATOM 0 HG3 LYS A 86 2.439 -2.847 -33.490 1.00 0.00 H new ATOM 0 HD2 LYS A 86 3.021 -4.568 -31.035 1.00 0.00 H new ATOM 0 HD3 LYS A 86 3.846 -4.681 -32.577 1.00 0.00 H new ATOM 0 HE2 LYS A 86 4.676 -2.319 -32.284 1.00 0.00 H new ATOM 0 HE3 LYS A 86 3.890 -2.252 -30.719 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 6.399 -2.981 -31.007 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 5.415 -3.621 -29.780 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 5.688 -4.511 -31.199 1.00 0.00 H new ATOM 1430 N LEU A 87 1.689 -3.380 -28.870 1.00 0.00 N ATOM 1431 CA LEU A 87 2.340 -4.064 -27.735 1.00 0.00 C ATOM 1432 C LEU A 87 1.349 -4.950 -26.919 1.00 0.00 C ATOM 1433 O LEU A 87 1.555 -6.165 -26.792 1.00 0.00 O ATOM 1434 CB LEU A 87 3.043 -3.017 -26.818 1.00 0.00 C ATOM 1435 CG LEU A 87 3.510 -3.525 -25.412 1.00 0.00 C ATOM 1436 CD1 LEU A 87 4.545 -4.660 -25.515 1.00 0.00 C ATOM 1437 CD2 LEU A 87 4.043 -2.372 -24.552 1.00 0.00 C ATOM 0 H LEU A 87 1.940 -2.395 -28.953 1.00 0.00 H new ATOM 0 HA LEU A 87 3.088 -4.742 -28.145 1.00 0.00 H new ATOM 0 HB2 LEU A 87 3.913 -2.629 -27.347 1.00 0.00 H new ATOM 0 HB3 LEU A 87 2.361 -2.180 -26.670 1.00 0.00 H new ATOM 0 HG LEU A 87 2.630 -3.938 -24.919 1.00 0.00 H new ATOM 0 HD11 LEU A 87 4.837 -4.978 -24.514 1.00 0.00 H new ATOM 0 HD12 LEU A 87 4.108 -5.503 -26.050 1.00 0.00 H new ATOM 0 HD13 LEU A 87 5.423 -4.304 -26.054 1.00 0.00 H new ATOM 0 HD21 LEU A 87 4.359 -2.757 -23.583 1.00 0.00 H new ATOM 0 HD22 LEU A 87 4.893 -1.907 -25.052 1.00 0.00 H new ATOM 0 HD23 LEU A 87 3.257 -1.631 -24.409 1.00 0.00 H new ATOM 1449 N LYS A 88 0.297 -4.328 -26.373 1.00 0.00 N ATOM 1450 CA LYS A 88 -0.661 -4.995 -25.461 1.00 0.00 C ATOM 1451 C LYS A 88 -1.638 -5.970 -26.175 1.00 0.00 C ATOM 1452 O LYS A 88 -2.181 -6.874 -25.528 1.00 0.00 O ATOM 1453 CB LYS A 88 -1.411 -3.904 -24.647 1.00 0.00 C ATOM 1454 CG LYS A 88 -0.471 -3.083 -23.718 1.00 0.00 C ATOM 1455 CD LYS A 88 -1.160 -1.919 -22.955 1.00 0.00 C ATOM 1456 CE LYS A 88 -2.163 -2.382 -21.874 1.00 0.00 C ATOM 1457 NZ LYS A 88 -3.416 -2.937 -22.435 1.00 0.00 N ATOM 0 H LYS A 88 0.079 -3.347 -26.547 1.00 0.00 H new ATOM 0 HA LYS A 88 -0.093 -5.637 -24.787 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -1.914 -3.226 -25.337 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -2.186 -4.377 -24.044 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -0.022 -3.759 -22.991 1.00 0.00 H new ATOM 0 HG3 LYS A 88 0.342 -2.674 -24.318 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -0.394 -1.303 -22.485 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -1.682 -1.286 -23.673 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -1.688 -3.137 -21.248 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -2.405 -1.538 -21.228 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -4.231 -2.536 -21.929 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -3.482 -2.694 -23.444 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -3.417 -3.971 -22.327 1.00 0.00 H new ATOM 1471 N LYS A 89 -1.813 -5.830 -27.512 1.00 0.00 N ATOM 1472 CA LYS A 89 -2.709 -6.743 -28.304 1.00 0.00 C ATOM 1473 C LYS A 89 -1.951 -8.026 -28.726 1.00 0.00 C ATOM 1474 O LYS A 89 -2.434 -8.814 -29.549 1.00 0.00 O ATOM 1475 CB LYS A 89 -3.314 -6.033 -29.556 1.00 0.00 C ATOM 1476 CG LYS A 89 -2.346 -5.840 -30.745 1.00 0.00 C ATOM 1477 CD LYS A 89 -2.994 -5.120 -31.948 1.00 0.00 C ATOM 1478 CE LYS A 89 -2.035 -4.992 -33.147 1.00 0.00 C ATOM 1479 NZ LYS A 89 -1.628 -6.313 -33.686 1.00 0.00 N ATOM 0 H LYS A 89 -1.357 -5.107 -28.069 1.00 0.00 H new ATOM 0 HA LYS A 89 -3.538 -7.020 -27.653 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -4.173 -6.610 -29.899 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -3.688 -5.055 -29.252 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -1.480 -5.268 -30.411 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -1.979 -6.814 -31.068 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -3.885 -5.666 -32.257 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -3.320 -4.126 -31.640 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -2.517 -4.414 -33.935 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -1.148 -4.437 -32.842 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -1.125 -6.180 -34.587 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -1.001 -6.787 -33.005 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -2.473 -6.899 -33.844 1.00 0.00 H new ATOM 1493 N SER A 90 -0.791 -8.247 -28.098 1.00 0.00 N ATOM 1494 CA SER A 90 0.094 -9.374 -28.415 1.00 0.00 C ATOM 1495 C SER A 90 0.212 -10.334 -27.213 1.00 0.00 C ATOM 1496 O SER A 90 0.828 -11.393 -27.317 1.00 0.00 O ATOM 1497 CB SER A 90 1.476 -8.806 -28.822 1.00 0.00 C ATOM 1498 OG SER A 90 2.372 -9.818 -29.223 1.00 0.00 O ATOM 0 H SER A 90 -0.438 -7.647 -27.353 1.00 0.00 H new ATOM 0 HA SER A 90 -0.319 -9.952 -29.241 1.00 0.00 H new ATOM 0 HB2 SER A 90 1.348 -8.093 -29.637 1.00 0.00 H new ATOM 0 HB3 SER A 90 1.903 -8.257 -27.982 1.00 0.00 H new ATOM 0 HG SER A 90 2.549 -10.417 -28.467 1.00 0.00 H new ATOM 1504 N VAL A 91 -0.449 -9.986 -26.083 1.00 0.00 N ATOM 1505 CA VAL A 91 -0.190 -10.648 -24.775 1.00 0.00 C ATOM 1506 C VAL A 91 -1.509 -10.978 -24.016 1.00 0.00 C ATOM 1507 O VAL A 91 -1.539 -11.901 -23.197 1.00 0.00 O ATOM 1508 CB VAL A 91 0.702 -9.738 -23.848 1.00 0.00 C ATOM 1509 CG1 VAL A 91 1.361 -10.553 -22.708 1.00 0.00 C ATOM 1510 CG2 VAL A 91 1.759 -8.923 -24.635 1.00 0.00 C ATOM 0 H VAL A 91 -1.161 -9.257 -26.047 1.00 0.00 H new ATOM 0 HA VAL A 91 0.332 -11.578 -25.001 1.00 0.00 H new ATOM 0 HB VAL A 91 0.023 -9.014 -23.397 1.00 0.00 H new ATOM 0 HG11 VAL A 91 1.968 -9.890 -22.091 1.00 0.00 H new ATOM 0 HG12 VAL A 91 0.586 -11.012 -22.094 1.00 0.00 H new ATOM 0 HG13 VAL A 91 1.994 -11.331 -23.136 1.00 0.00 H new ATOM 0 HG21 VAL A 91 2.341 -8.317 -23.941 1.00 0.00 H new ATOM 0 HG22 VAL A 91 2.423 -9.605 -25.166 1.00 0.00 H new ATOM 0 HG23 VAL A 91 1.257 -8.273 -25.352 1.00 0.00 H new ATOM 1520 N ARG A 92 -2.591 -10.205 -24.308 1.00 0.00 N ATOM 1521 CA ARG A 92 -3.902 -10.256 -23.594 1.00 0.00 C ATOM 1522 C ARG A 92 -3.775 -9.754 -22.132 1.00 0.00 C ATOM 1523 O ARG A 92 -4.150 -8.617 -21.827 1.00 0.00 O ATOM 1524 CB ARG A 92 -4.617 -11.655 -23.629 1.00 0.00 C ATOM 1525 CG ARG A 92 -5.056 -12.159 -25.029 1.00 0.00 C ATOM 1526 CD ARG A 92 -3.910 -12.763 -25.847 1.00 0.00 C ATOM 1527 NE ARG A 92 -3.338 -13.936 -25.178 1.00 0.00 N ATOM 1528 CZ ARG A 92 -2.105 -14.419 -25.357 1.00 0.00 C ATOM 1529 NH1 ARG A 92 -1.234 -13.842 -26.180 1.00 0.00 N ATOM 1530 NH2 ARG A 92 -1.751 -15.490 -24.694 1.00 0.00 N ATOM 0 H ARG A 92 -2.578 -9.516 -25.060 1.00 0.00 H new ATOM 0 HA ARG A 92 -4.544 -9.579 -24.157 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -3.946 -12.395 -23.192 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -5.498 -11.607 -22.989 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -5.839 -12.907 -24.908 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -5.491 -11.329 -25.585 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -4.275 -13.047 -26.834 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -3.133 -12.013 -25.998 1.00 0.00 H new ATOM 0 HE ARG A 92 -3.936 -14.429 -24.515 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -1.500 -13.004 -26.698 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -0.300 -14.237 -26.293 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -2.411 -15.937 -24.058 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -0.815 -15.878 -24.814 1.00 0.00 H new ATOM 1544 N GLY A 93 -3.212 -10.600 -21.239 1.00 0.00 N ATOM 1545 CA GLY A 93 -3.107 -10.295 -19.797 1.00 0.00 C ATOM 1546 C GLY A 93 -1.835 -9.524 -19.423 1.00 0.00 C ATOM 1547 O GLY A 93 -1.266 -9.727 -18.342 1.00 0.00 O ATOM 0 H GLY A 93 -2.821 -11.506 -21.497 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -3.977 -9.713 -19.493 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -3.135 -11.228 -19.234 1.00 0.00 H new ATOM 1551 N LEU A 94 -1.399 -8.658 -20.344 1.00 0.00 N ATOM 1552 CA LEU A 94 -0.237 -7.784 -20.136 1.00 0.00 C ATOM 1553 C LEU A 94 -0.519 -6.722 -19.059 1.00 0.00 C ATOM 1554 O LEU A 94 -1.473 -5.944 -19.155 1.00 0.00 O ATOM 1555 CB LEU A 94 0.233 -7.131 -21.453 1.00 0.00 C ATOM 1556 CG LEU A 94 1.441 -6.145 -21.350 1.00 0.00 C ATOM 1557 CD1 LEU A 94 2.601 -6.739 -20.524 1.00 0.00 C ATOM 1558 CD2 LEU A 94 1.942 -5.713 -22.744 1.00 0.00 C ATOM 0 H LEU A 94 -1.841 -8.542 -21.256 1.00 0.00 H new ATOM 0 HA LEU A 94 0.577 -8.414 -19.777 1.00 0.00 H new ATOM 0 HB2 LEU A 94 0.499 -7.925 -22.151 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -0.610 -6.594 -21.887 1.00 0.00 H new ATOM 0 HG LEU A 94 1.076 -5.260 -20.828 1.00 0.00 H new ATOM 0 HD11 LEU A 94 3.420 -6.021 -20.478 1.00 0.00 H new ATOM 0 HD12 LEU A 94 2.254 -6.959 -19.514 1.00 0.00 H new ATOM 0 HD13 LEU A 94 2.950 -7.658 -20.995 1.00 0.00 H new ATOM 0 HD21 LEU A 94 2.782 -5.028 -22.632 1.00 0.00 H new ATOM 0 HD22 LEU A 94 2.262 -6.592 -23.304 1.00 0.00 H new ATOM 0 HD23 LEU A 94 1.136 -5.214 -23.282 1.00 0.00 H new ATOM 1570 N VAL A 95 0.353 -6.727 -18.051 1.00 0.00 N ATOM 1571 CA VAL A 95 0.380 -5.810 -16.915 1.00 0.00 C ATOM 1572 C VAL A 95 1.629 -4.945 -17.088 1.00 0.00 C ATOM 1573 O VAL A 95 2.730 -5.484 -17.163 1.00 0.00 O ATOM 1574 CB VAL A 95 0.416 -6.593 -15.555 1.00 0.00 C ATOM 1575 CG1 VAL A 95 0.587 -5.634 -14.344 1.00 0.00 C ATOM 1576 CG2 VAL A 95 -0.860 -7.466 -15.417 1.00 0.00 C ATOM 0 H VAL A 95 1.105 -7.414 -18.004 1.00 0.00 H new ATOM 0 HA VAL A 95 -0.520 -5.195 -16.888 1.00 0.00 H new ATOM 0 HB VAL A 95 1.287 -7.249 -15.557 1.00 0.00 H new ATOM 0 HG11 VAL A 95 0.607 -6.213 -13.421 1.00 0.00 H new ATOM 0 HG12 VAL A 95 1.521 -5.082 -14.446 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -0.247 -4.933 -14.314 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -0.830 -8.007 -14.471 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -1.743 -6.827 -15.441 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -0.905 -8.178 -16.241 1.00 0.00 H new ATOM 1586 N VAL A 96 1.460 -3.616 -17.146 1.00 0.00 N ATOM 1587 CA VAL A 96 2.527 -2.681 -17.549 1.00 0.00 C ATOM 1588 C VAL A 96 2.700 -1.642 -16.428 1.00 0.00 C ATOM 1589 O VAL A 96 1.822 -0.795 -16.231 1.00 0.00 O ATOM 1590 CB VAL A 96 2.180 -1.933 -18.897 1.00 0.00 C ATOM 1591 CG1 VAL A 96 3.340 -1.034 -19.354 1.00 0.00 C ATOM 1592 CG2 VAL A 96 1.785 -2.911 -20.017 1.00 0.00 C ATOM 0 H VAL A 96 0.579 -3.156 -16.915 1.00 0.00 H new ATOM 0 HA VAL A 96 3.443 -3.249 -17.713 1.00 0.00 H new ATOM 0 HB VAL A 96 1.316 -1.302 -18.690 1.00 0.00 H new ATOM 0 HG11 VAL A 96 3.069 -0.534 -20.284 1.00 0.00 H new ATOM 0 HG12 VAL A 96 3.545 -0.287 -18.587 1.00 0.00 H new ATOM 0 HG13 VAL A 96 4.230 -1.642 -19.515 1.00 0.00 H new ATOM 0 HG21 VAL A 96 1.555 -2.352 -20.924 1.00 0.00 H new ATOM 0 HG22 VAL A 96 2.612 -3.594 -20.212 1.00 0.00 H new ATOM 0 HG23 VAL A 96 0.908 -3.481 -19.710 1.00 0.00 H new ATOM 1602 N VAL A 97 3.809 -1.720 -15.684 1.00 0.00 N ATOM 1603 CA VAL A 97 4.081 -0.842 -14.534 1.00 0.00 C ATOM 1604 C VAL A 97 4.965 0.329 -15.008 1.00 0.00 C ATOM 1605 O VAL A 97 6.101 0.104 -15.455 1.00 0.00 O ATOM 1606 CB VAL A 97 4.796 -1.634 -13.377 1.00 0.00 C ATOM 1607 CG1 VAL A 97 4.891 -0.791 -12.080 1.00 0.00 C ATOM 1608 CG2 VAL A 97 4.098 -2.994 -13.104 1.00 0.00 C ATOM 0 H VAL A 97 4.550 -2.398 -15.862 1.00 0.00 H new ATOM 0 HA VAL A 97 3.139 -0.462 -14.139 1.00 0.00 H new ATOM 0 HB VAL A 97 5.812 -1.841 -13.712 1.00 0.00 H new ATOM 0 HG11 VAL A 97 5.391 -1.372 -11.304 1.00 0.00 H new ATOM 0 HG12 VAL A 97 5.461 0.117 -12.277 1.00 0.00 H new ATOM 0 HG13 VAL A 97 3.889 -0.525 -11.745 1.00 0.00 H new ATOM 0 HG21 VAL A 97 4.617 -3.515 -12.299 1.00 0.00 H new ATOM 0 HG22 VAL A 97 3.062 -2.819 -12.814 1.00 0.00 H new ATOM 0 HG23 VAL A 97 4.124 -3.604 -14.007 1.00 0.00 H new ATOM 1618 N HIS A 98 4.442 1.564 -14.922 1.00 0.00 N ATOM 1619 CA HIS A 98 5.122 2.782 -15.399 1.00 0.00 C ATOM 1620 C HIS A 98 5.906 3.407 -14.216 1.00 0.00 C ATOM 1621 O HIS A 98 5.392 3.404 -13.107 1.00 0.00 O ATOM 1622 CB HIS A 98 4.035 3.765 -15.926 1.00 0.00 C ATOM 1623 CG HIS A 98 4.557 5.056 -16.514 1.00 0.00 C ATOM 1624 ND1 HIS A 98 4.981 6.087 -15.715 1.00 0.00 N ATOM 1625 CD2 HIS A 98 4.725 5.419 -17.810 1.00 0.00 C ATOM 1626 CE1 HIS A 98 5.401 7.027 -16.537 1.00 0.00 C ATOM 1627 NE2 HIS A 98 5.268 6.664 -17.804 1.00 0.00 N ATOM 0 H HIS A 98 3.525 1.747 -14.515 1.00 0.00 H new ATOM 0 HA HIS A 98 5.824 2.559 -16.202 1.00 0.00 H new ATOM 0 HB2 HIS A 98 3.444 3.253 -16.685 1.00 0.00 H new ATOM 0 HB3 HIS A 98 3.359 4.007 -15.105 1.00 0.00 H new ATOM 0 HD2 HIS A 98 4.475 4.831 -18.680 1.00 0.00 H new ATOM 0 HE1 HIS A 98 5.804 7.977 -16.217 1.00 0.00 H new ATOM 0 HE2 HIS A 98 5.525 7.216 -18.622 1.00 0.00 H new ATOM 1635 N PRO A 99 7.138 3.972 -14.425 1.00 0.00 N ATOM 1636 CA PRO A 99 7.979 4.497 -13.312 1.00 0.00 C ATOM 1637 C PRO A 99 7.311 5.614 -12.464 1.00 0.00 C ATOM 1638 O PRO A 99 7.617 5.751 -11.281 1.00 0.00 O ATOM 1639 CB PRO A 99 9.252 5.027 -14.037 1.00 0.00 C ATOM 1640 CG PRO A 99 8.839 5.214 -15.463 1.00 0.00 C ATOM 1641 CD PRO A 99 7.835 4.120 -15.734 1.00 0.00 C ATOM 0 HA PRO A 99 8.175 3.717 -12.577 1.00 0.00 H new ATOM 0 HB2 PRO A 99 9.593 5.965 -13.599 1.00 0.00 H new ATOM 0 HB3 PRO A 99 10.076 4.318 -13.955 1.00 0.00 H new ATOM 0 HG2 PRO A 99 8.399 6.199 -15.619 1.00 0.00 H new ATOM 0 HG3 PRO A 99 9.695 5.137 -16.134 1.00 0.00 H new ATOM 0 HD2 PRO A 99 7.144 4.395 -16.530 1.00 0.00 H new ATOM 0 HD3 PRO A 99 8.321 3.193 -16.040 1.00 0.00 H new ATOM 1649 N MET A 100 6.394 6.391 -13.073 1.00 0.00 N ATOM 1650 CA MET A 100 5.755 7.544 -12.382 1.00 0.00 C ATOM 1651 C MET A 100 4.483 7.150 -11.616 1.00 0.00 C ATOM 1652 O MET A 100 3.920 7.988 -10.890 1.00 0.00 O ATOM 1653 CB MET A 100 5.446 8.700 -13.361 1.00 0.00 C ATOM 1654 CG MET A 100 6.680 9.321 -14.024 1.00 0.00 C ATOM 1655 SD MET A 100 6.319 10.919 -14.794 1.00 0.00 S ATOM 1656 CE MET A 100 4.962 10.501 -15.898 1.00 0.00 C ATOM 0 H MET A 100 6.077 6.249 -14.032 1.00 0.00 H new ATOM 0 HA MET A 100 6.486 7.890 -11.651 1.00 0.00 H new ATOM 0 HB2 MET A 100 4.779 8.331 -14.140 1.00 0.00 H new ATOM 0 HB3 MET A 100 4.907 9.480 -12.823 1.00 0.00 H new ATOM 0 HG2 MET A 100 7.464 9.449 -13.278 1.00 0.00 H new ATOM 0 HG3 MET A 100 7.067 8.636 -14.779 1.00 0.00 H new ATOM 0 HE1 MET A 100 4.503 11.416 -16.273 1.00 0.00 H new ATOM 0 HE2 MET A 100 5.342 9.916 -16.736 1.00 0.00 H new ATOM 0 HE3 MET A 100 4.218 9.917 -15.356 1.00 0.00 H new ATOM 1666 N THR A 101 4.029 5.893 -11.760 1.00 0.00 N ATOM 1667 CA THR A 101 2.879 5.364 -10.983 1.00 0.00 C ATOM 1668 C THR A 101 3.277 5.143 -9.520 1.00 0.00 C ATOM 1669 O THR A 101 4.454 5.293 -9.161 1.00 0.00 O ATOM 1670 CB THR A 101 2.308 4.022 -11.564 1.00 0.00 C ATOM 1671 OG1 THR A 101 3.301 2.986 -11.527 1.00 0.00 O ATOM 1672 CG2 THR A 101 1.773 4.191 -12.992 1.00 0.00 C ATOM 0 H THR A 101 4.437 5.218 -12.407 1.00 0.00 H new ATOM 0 HA THR A 101 2.094 6.117 -11.055 1.00 0.00 H new ATOM 0 HB THR A 101 1.470 3.733 -10.930 1.00 0.00 H new ATOM 0 HG1 THR A 101 4.027 3.207 -12.147 1.00 0.00 H new ATOM 0 HG21 THR A 101 1.389 3.237 -13.352 1.00 0.00 H new ATOM 0 HG22 THR A 101 0.971 4.930 -12.995 1.00 0.00 H new ATOM 0 HG23 THR A 101 2.579 4.527 -13.645 1.00 0.00 H new ATOM 1680 N ALA A 102 2.283 4.795 -8.682 1.00 0.00 N ATOM 1681 CA ALA A 102 2.496 4.549 -7.254 1.00 0.00 C ATOM 1682 C ALA A 102 3.530 3.430 -7.053 1.00 0.00 C ATOM 1683 O ALA A 102 4.624 3.680 -6.521 1.00 0.00 O ATOM 1684 CB ALA A 102 1.163 4.224 -6.558 1.00 0.00 C ATOM 0 H ALA A 102 1.315 4.678 -8.980 1.00 0.00 H new ATOM 0 HA ALA A 102 2.894 5.454 -6.794 1.00 0.00 H new ATOM 0 HB1 ALA A 102 1.341 4.044 -5.498 1.00 0.00 H new ATOM 0 HB2 ALA A 102 0.478 5.064 -6.674 1.00 0.00 H new ATOM 0 HB3 ALA A 102 0.725 3.333 -7.009 1.00 0.00 H new ATOM 1690 N LEU A 103 3.190 2.207 -7.507 1.00 0.00 N ATOM 1691 CA LEU A 103 4.040 1.013 -7.377 1.00 0.00 C ATOM 1692 C LEU A 103 5.334 1.184 -8.213 1.00 0.00 C ATOM 1693 O LEU A 103 6.413 0.745 -7.803 1.00 0.00 O ATOM 1694 CB LEU A 103 3.231 -0.215 -7.882 1.00 0.00 C ATOM 1695 CG LEU A 103 3.767 -1.620 -7.477 1.00 0.00 C ATOM 1696 CD1 LEU A 103 3.764 -1.811 -5.938 1.00 0.00 C ATOM 1697 CD2 LEU A 103 2.973 -2.743 -8.193 1.00 0.00 C ATOM 0 H LEU A 103 2.305 2.022 -7.980 1.00 0.00 H new ATOM 0 HA LEU A 103 4.328 0.869 -6.336 1.00 0.00 H new ATOM 0 HB2 LEU A 103 2.208 -0.123 -7.516 1.00 0.00 H new ATOM 0 HB3 LEU A 103 3.186 -0.169 -8.970 1.00 0.00 H new ATOM 0 HG LEU A 103 4.805 -1.686 -7.804 1.00 0.00 H new ATOM 0 HD11 LEU A 103 4.144 -2.803 -5.694 1.00 0.00 H new ATOM 0 HD12 LEU A 103 4.399 -1.055 -5.476 1.00 0.00 H new ATOM 0 HD13 LEU A 103 2.746 -1.710 -5.561 1.00 0.00 H new ATOM 0 HD21 LEU A 103 3.366 -3.714 -7.894 1.00 0.00 H new ATOM 0 HD22 LEU A 103 1.921 -2.677 -7.917 1.00 0.00 H new ATOM 0 HD23 LEU A 103 3.073 -2.628 -9.272 1.00 0.00 H new ATOM 1709 N GLY A 104 5.171 1.798 -9.411 1.00 0.00 N ATOM 1710 CA GLY A 104 6.295 2.243 -10.230 1.00 0.00 C ATOM 1711 C GLY A 104 7.373 3.013 -9.494 1.00 0.00 C ATOM 1712 O GLY A 104 8.562 2.812 -9.761 1.00 0.00 O ATOM 0 H GLY A 104 4.258 1.991 -9.823 1.00 0.00 H new ATOM 0 HA2 GLY A 104 6.751 1.369 -10.696 1.00 0.00 H new ATOM 0 HA3 GLY A 104 5.910 2.870 -11.035 1.00 0.00 H new ATOM 1716 N ARG A 105 6.995 3.886 -8.547 1.00 0.00 N ATOM 1717 CA ARG A 105 7.961 4.611 -7.723 1.00 0.00 C ATOM 1718 C ARG A 105 8.359 3.771 -6.508 1.00 0.00 C ATOM 1719 O ARG A 105 9.514 3.832 -6.074 1.00 0.00 O ATOM 1720 CB ARG A 105 7.352 5.959 -7.246 1.00 0.00 C ATOM 1721 CG ARG A 105 7.072 6.965 -8.377 1.00 0.00 C ATOM 1722 CD ARG A 105 6.472 8.295 -7.875 1.00 0.00 C ATOM 1723 NE ARG A 105 7.275 8.909 -6.791 1.00 0.00 N ATOM 1724 CZ ARG A 105 7.337 10.220 -6.502 1.00 0.00 C ATOM 1725 NH1 ARG A 105 6.800 11.122 -7.311 1.00 0.00 N ATOM 1726 NH2 ARG A 105 7.974 10.618 -5.411 1.00 0.00 N ATOM 0 H ARG A 105 6.021 4.104 -8.336 1.00 0.00 H new ATOM 0 HA ARG A 105 8.848 4.810 -8.325 1.00 0.00 H new ATOM 0 HB2 ARG A 105 6.420 5.756 -6.718 1.00 0.00 H new ATOM 0 HB3 ARG A 105 8.032 6.418 -6.528 1.00 0.00 H new ATOM 0 HG2 ARG A 105 8.001 7.171 -8.909 1.00 0.00 H new ATOM 0 HG3 ARG A 105 6.387 6.513 -9.095 1.00 0.00 H new ATOM 0 HD2 ARG A 105 6.399 8.994 -8.708 1.00 0.00 H new ATOM 0 HD3 ARG A 105 5.458 8.119 -7.516 1.00 0.00 H new ATOM 0 HE ARG A 105 7.831 8.280 -6.212 1.00 0.00 H new ATOM 0 HH11 ARG A 105 6.331 10.825 -8.167 1.00 0.00 H new ATOM 0 HH12 ARG A 105 6.855 12.113 -7.078 1.00 0.00 H new ATOM 0 HH21 ARG A 105 8.413 9.931 -4.798 1.00 0.00 H new ATOM 0 HH22 ARG A 105 8.026 11.611 -5.184 1.00 0.00 H new ATOM 1740 N GLU A 106 7.405 2.979 -5.967 1.00 0.00 N ATOM 1741 CA GLU A 106 7.567 2.234 -4.711 1.00 0.00 C ATOM 1742 C GLU A 106 8.647 1.156 -4.859 1.00 0.00 C ATOM 1743 O GLU A 106 9.655 1.189 -4.145 1.00 0.00 O ATOM 1744 CB GLU A 106 6.205 1.591 -4.318 1.00 0.00 C ATOM 1745 CG GLU A 106 6.232 0.675 -3.076 1.00 0.00 C ATOM 1746 CD GLU A 106 6.654 1.402 -1.787 1.00 0.00 C ATOM 1747 OE1 GLU A 106 5.859 2.212 -1.268 1.00 0.00 O ATOM 1748 OE2 GLU A 106 7.785 1.184 -1.296 1.00 0.00 O ATOM 0 H GLU A 106 6.492 2.842 -6.401 1.00 0.00 H new ATOM 0 HA GLU A 106 7.883 2.919 -3.925 1.00 0.00 H new ATOM 0 HB2 GLU A 106 5.484 2.390 -4.142 1.00 0.00 H new ATOM 0 HB3 GLU A 106 5.839 1.012 -5.166 1.00 0.00 H new ATOM 0 HG2 GLU A 106 5.242 0.242 -2.932 1.00 0.00 H new ATOM 0 HG3 GLU A 106 6.918 -0.152 -3.259 1.00 0.00 H new ATOM 1755 N MET A 107 8.442 0.191 -5.794 1.00 0.00 N ATOM 1756 CA MET A 107 9.415 -0.881 -6.097 1.00 0.00 C ATOM 1757 C MET A 107 10.715 -0.289 -6.706 1.00 0.00 C ATOM 1758 O MET A 107 11.691 -1.005 -6.903 1.00 0.00 O ATOM 1759 CB MET A 107 8.758 -1.909 -7.086 1.00 0.00 C ATOM 1760 CG MET A 107 7.556 -2.710 -6.512 1.00 0.00 C ATOM 1761 SD MET A 107 6.476 -3.424 -7.781 1.00 0.00 S ATOM 1762 CE MET A 107 7.546 -4.522 -8.698 1.00 0.00 C ATOM 0 H MET A 107 7.594 0.139 -6.358 1.00 0.00 H new ATOM 0 HA MET A 107 9.685 -1.392 -5.173 1.00 0.00 H new ATOM 0 HB2 MET A 107 8.424 -1.371 -7.973 1.00 0.00 H new ATOM 0 HB3 MET A 107 9.522 -2.615 -7.410 1.00 0.00 H new ATOM 0 HG2 MET A 107 7.936 -3.512 -5.879 1.00 0.00 H new ATOM 0 HG3 MET A 107 6.965 -2.053 -5.874 1.00 0.00 H new ATOM 0 HE1 MET A 107 6.977 -5.004 -9.493 1.00 0.00 H new ATOM 0 HE2 MET A 107 8.367 -3.951 -9.133 1.00 0.00 H new ATOM 0 HE3 MET A 107 7.948 -5.282 -8.028 1.00 0.00 H new ATOM 1772 N GLY A 108 10.692 1.028 -7.016 1.00 0.00 N ATOM 1773 CA GLY A 108 11.890 1.784 -7.393 1.00 0.00 C ATOM 1774 C GLY A 108 12.217 1.699 -8.871 1.00 0.00 C ATOM 1775 O GLY A 108 13.390 1.766 -9.253 1.00 0.00 O ATOM 0 H GLY A 108 9.839 1.588 -7.009 1.00 0.00 H new ATOM 0 HA2 GLY A 108 11.751 2.830 -7.119 1.00 0.00 H new ATOM 0 HA3 GLY A 108 12.739 1.414 -6.819 1.00 0.00 H new ATOM 1779 N LEU A 109 11.181 1.558 -9.712 1.00 0.00 N ATOM 1780 CA LEU A 109 11.339 1.495 -11.169 1.00 0.00 C ATOM 1781 C LEU A 109 11.530 2.918 -11.721 1.00 0.00 C ATOM 1782 O LEU A 109 10.759 3.824 -11.391 1.00 0.00 O ATOM 1783 CB LEU A 109 10.110 0.811 -11.836 1.00 0.00 C ATOM 1784 CG LEU A 109 9.695 -0.587 -11.264 1.00 0.00 C ATOM 1785 CD1 LEU A 109 8.494 -1.169 -12.038 1.00 0.00 C ATOM 1786 CD2 LEU A 109 10.879 -1.583 -11.261 1.00 0.00 C ATOM 0 H LEU A 109 10.213 1.485 -9.400 1.00 0.00 H new ATOM 0 HA LEU A 109 12.218 0.894 -11.403 1.00 0.00 H new ATOM 0 HB2 LEU A 109 9.256 1.483 -11.749 1.00 0.00 H new ATOM 0 HB3 LEU A 109 10.318 0.697 -12.900 1.00 0.00 H new ATOM 0 HG LEU A 109 9.393 -0.433 -10.228 1.00 0.00 H new ATOM 0 HD11 LEU A 109 8.227 -2.140 -11.620 1.00 0.00 H new ATOM 0 HD12 LEU A 109 7.644 -0.492 -11.954 1.00 0.00 H new ATOM 0 HD13 LEU A 109 8.761 -1.287 -13.088 1.00 0.00 H new ATOM 0 HD21 LEU A 109 10.549 -2.540 -10.857 1.00 0.00 H new ATOM 0 HD22 LEU A 109 11.238 -1.724 -12.280 1.00 0.00 H new ATOM 0 HD23 LEU A 109 11.686 -1.187 -10.644 1.00 0.00 H new ATOM 1798 N GLU A 110 12.586 3.107 -12.518 1.00 0.00 N ATOM 1799 CA GLU A 110 12.864 4.365 -13.257 1.00 0.00 C ATOM 1800 C GLU A 110 12.668 4.133 -14.779 1.00 0.00 C ATOM 1801 O GLU A 110 12.937 5.006 -15.609 1.00 0.00 O ATOM 1802 CB GLU A 110 14.300 4.840 -12.933 1.00 0.00 C ATOM 1803 CG GLU A 110 15.394 3.817 -13.293 1.00 0.00 C ATOM 1804 CD GLU A 110 16.809 4.280 -12.915 1.00 0.00 C ATOM 1805 OE1 GLU A 110 17.454 4.970 -13.733 1.00 0.00 O ATOM 1806 OE2 GLU A 110 17.272 3.970 -11.798 1.00 0.00 O ATOM 0 H GLU A 110 13.289 2.385 -12.677 1.00 0.00 H new ATOM 0 HA GLU A 110 12.168 5.145 -12.947 1.00 0.00 H new ATOM 0 HB2 GLU A 110 14.494 5.769 -13.470 1.00 0.00 H new ATOM 0 HB3 GLU A 110 14.365 5.067 -11.869 1.00 0.00 H new ATOM 0 HG2 GLU A 110 15.181 2.875 -12.788 1.00 0.00 H new ATOM 0 HG3 GLU A 110 15.358 3.619 -14.364 1.00 0.00 H new ATOM 1813 N GLU A 111 12.148 2.939 -15.081 1.00 0.00 N ATOM 1814 CA GLU A 111 11.844 2.495 -16.455 1.00 0.00 C ATOM 1815 C GLU A 111 10.562 1.659 -16.432 1.00 0.00 C ATOM 1816 O GLU A 111 10.278 0.973 -15.433 1.00 0.00 O ATOM 1817 CB GLU A 111 13.021 1.670 -17.065 1.00 0.00 C ATOM 1818 CG GLU A 111 13.369 0.330 -16.354 1.00 0.00 C ATOM 1819 CD GLU A 111 13.938 0.505 -14.932 1.00 0.00 C ATOM 1820 OE1 GLU A 111 15.153 0.747 -14.799 1.00 0.00 O ATOM 1821 OE2 GLU A 111 13.169 0.425 -13.947 1.00 0.00 O ATOM 0 H GLU A 111 11.922 2.241 -14.372 1.00 0.00 H new ATOM 0 HA GLU A 111 11.705 3.373 -17.086 1.00 0.00 H new ATOM 0 HB2 GLU A 111 12.782 1.452 -18.106 1.00 0.00 H new ATOM 0 HB3 GLU A 111 13.913 2.297 -17.067 1.00 0.00 H new ATOM 0 HG2 GLU A 111 12.471 -0.286 -16.302 1.00 0.00 H new ATOM 0 HG3 GLU A 111 14.094 -0.214 -16.960 1.00 0.00 H new ATOM 1828 N MET A 112 9.767 1.750 -17.511 1.00 0.00 N ATOM 1829 CA MET A 112 8.537 0.970 -17.649 1.00 0.00 C ATOM 1830 C MET A 112 8.872 -0.522 -17.869 1.00 0.00 C ATOM 1831 O MET A 112 9.636 -0.893 -18.780 1.00 0.00 O ATOM 1832 CB MET A 112 7.659 1.505 -18.808 1.00 0.00 C ATOM 1833 CG MET A 112 6.401 0.679 -19.046 1.00 0.00 C ATOM 1834 SD MET A 112 5.405 1.266 -20.427 1.00 0.00 S ATOM 1835 CE MET A 112 4.390 2.496 -19.633 1.00 0.00 C ATOM 0 H MET A 112 9.961 2.362 -18.303 1.00 0.00 H new ATOM 0 HA MET A 112 7.967 1.071 -16.725 1.00 0.00 H new ATOM 0 HB2 MET A 112 7.373 2.534 -18.592 1.00 0.00 H new ATOM 0 HB3 MET A 112 8.251 1.524 -19.723 1.00 0.00 H new ATOM 0 HG2 MET A 112 6.686 -0.357 -19.229 1.00 0.00 H new ATOM 0 HG3 MET A 112 5.794 0.688 -18.141 1.00 0.00 H new ATOM 0 HE1 MET A 112 3.371 2.120 -19.536 1.00 0.00 H new ATOM 0 HE2 MET A 112 4.791 2.715 -18.644 1.00 0.00 H new ATOM 0 HE3 MET A 112 4.385 3.406 -20.233 1.00 0.00 H new ATOM 1845 N THR A 113 8.321 -1.346 -16.987 1.00 0.00 N ATOM 1846 CA THR A 113 8.504 -2.800 -17.025 1.00 0.00 C ATOM 1847 C THR A 113 7.109 -3.418 -17.326 1.00 0.00 C ATOM 1848 O THR A 113 6.100 -2.704 -17.222 1.00 0.00 O ATOM 1849 CB THR A 113 9.074 -3.262 -15.643 1.00 0.00 C ATOM 1850 OG1 THR A 113 10.238 -2.473 -15.315 1.00 0.00 O ATOM 1851 CG2 THR A 113 9.464 -4.745 -15.613 1.00 0.00 C ATOM 0 H THR A 113 7.730 -1.027 -16.219 1.00 0.00 H new ATOM 0 HA THR A 113 9.209 -3.121 -17.792 1.00 0.00 H new ATOM 0 HB THR A 113 8.277 -3.119 -14.914 1.00 0.00 H new ATOM 0 HG1 THR A 113 10.595 -2.761 -14.449 1.00 0.00 H new ATOM 0 HG21 THR A 113 9.852 -4.999 -14.627 1.00 0.00 H new ATOM 0 HG22 THR A 113 8.587 -5.356 -15.827 1.00 0.00 H new ATOM 0 HG23 THR A 113 10.231 -4.935 -16.364 1.00 0.00 H new ATOM 1859 N GLY A 114 7.027 -4.714 -17.697 1.00 0.00 N ATOM 1860 CA GLY A 114 5.722 -5.362 -17.874 1.00 0.00 C ATOM 1861 C GLY A 114 5.795 -6.877 -17.768 1.00 0.00 C ATOM 1862 O GLY A 114 6.695 -7.500 -18.313 1.00 0.00 O ATOM 0 H GLY A 114 7.832 -5.315 -17.875 1.00 0.00 H new ATOM 0 HA2 GLY A 114 5.029 -4.983 -17.123 1.00 0.00 H new ATOM 0 HA3 GLY A 114 5.316 -5.090 -18.848 1.00 0.00 H new ATOM 1866 N PHE A 115 4.828 -7.472 -17.067 1.00 0.00 N ATOM 1867 CA PHE A 115 4.809 -8.914 -16.759 1.00 0.00 C ATOM 1868 C PHE A 115 3.517 -9.548 -17.306 1.00 0.00 C ATOM 1869 O PHE A 115 2.540 -8.826 -17.587 1.00 0.00 O ATOM 1870 CB PHE A 115 4.870 -9.113 -15.219 1.00 0.00 C ATOM 1871 CG PHE A 115 5.986 -8.347 -14.491 1.00 0.00 C ATOM 1872 CD1 PHE A 115 5.816 -7.001 -14.141 1.00 0.00 C ATOM 1873 CD2 PHE A 115 7.175 -8.971 -14.126 1.00 0.00 C ATOM 1874 CE1 PHE A 115 6.805 -6.312 -13.471 1.00 0.00 C ATOM 1875 CE2 PHE A 115 8.161 -8.279 -13.457 1.00 0.00 C ATOM 1876 CZ PHE A 115 7.975 -6.954 -13.123 1.00 0.00 C ATOM 0 H PHE A 115 4.026 -6.967 -16.691 1.00 0.00 H new ATOM 0 HA PHE A 115 5.670 -9.393 -17.226 1.00 0.00 H new ATOM 0 HB2 PHE A 115 3.912 -8.813 -14.794 1.00 0.00 H new ATOM 0 HB3 PHE A 115 4.991 -10.177 -15.013 1.00 0.00 H new ATOM 0 HD1 PHE A 115 4.897 -6.496 -14.400 1.00 0.00 H new ATOM 0 HD2 PHE A 115 7.327 -10.012 -14.370 1.00 0.00 H new ATOM 0 HE1 PHE A 115 6.664 -5.271 -13.219 1.00 0.00 H new ATOM 0 HE2 PHE A 115 9.083 -8.776 -13.193 1.00 0.00 H new ATOM 0 HZ PHE A 115 8.746 -6.419 -12.589 1.00 0.00 H new ATOM 1886 N SER A 116 3.505 -10.900 -17.441 1.00 0.00 N ATOM 1887 CA SER A 116 2.237 -11.633 -17.637 1.00 0.00 C ATOM 1888 C SER A 116 2.373 -13.139 -17.270 1.00 0.00 C ATOM 1889 O SER A 116 3.479 -13.661 -16.979 1.00 0.00 O ATOM 1890 CB SER A 116 1.811 -11.499 -19.133 1.00 0.00 C ATOM 1891 OG SER A 116 0.508 -12.022 -19.373 1.00 0.00 O ATOM 0 H SER A 116 4.339 -11.487 -17.418 1.00 0.00 H new ATOM 0 HA SER A 116 1.484 -11.201 -16.977 1.00 0.00 H new ATOM 0 HB2 SER A 116 1.838 -10.449 -19.423 1.00 0.00 H new ATOM 0 HB3 SER A 116 2.532 -12.022 -19.762 1.00 0.00 H new ATOM 0 HG SER A 116 -0.160 -11.441 -18.953 1.00 0.00 H new ATOM 1897 N LYS A 117 1.220 -13.835 -17.336 1.00 0.00 N ATOM 1898 CA LYS A 117 1.125 -15.299 -17.219 1.00 0.00 C ATOM 1899 C LYS A 117 1.210 -15.953 -18.614 1.00 0.00 C ATOM 1900 O LYS A 117 1.293 -17.175 -18.733 1.00 0.00 O ATOM 1901 CB LYS A 117 -0.202 -15.699 -16.508 1.00 0.00 C ATOM 1902 CG LYS A 117 -0.321 -15.202 -15.044 1.00 0.00 C ATOM 1903 CD LYS A 117 0.692 -15.863 -14.063 1.00 0.00 C ATOM 1904 CE LYS A 117 0.377 -17.334 -13.689 1.00 0.00 C ATOM 1905 NZ LYS A 117 0.518 -18.293 -14.818 1.00 0.00 N ATOM 0 H LYS A 117 0.315 -13.385 -17.474 1.00 0.00 H new ATOM 0 HA LYS A 117 1.960 -15.657 -16.618 1.00 0.00 H new ATOM 0 HB2 LYS A 117 -1.040 -15.304 -17.082 1.00 0.00 H new ATOM 0 HB3 LYS A 117 -0.292 -16.785 -16.518 1.00 0.00 H new ATOM 0 HG2 LYS A 117 -0.176 -14.122 -15.026 1.00 0.00 H new ATOM 0 HG3 LYS A 117 -1.333 -15.394 -14.688 1.00 0.00 H new ATOM 0 HD2 LYS A 117 1.686 -15.822 -14.509 1.00 0.00 H new ATOM 0 HD3 LYS A 117 0.728 -15.271 -13.148 1.00 0.00 H new ATOM 0 HE2 LYS A 117 1.040 -17.642 -12.880 1.00 0.00 H new ATOM 0 HE3 LYS A 117 -0.641 -17.390 -13.305 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 1.017 -19.144 -14.490 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 -0.425 -18.558 -15.168 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 1.060 -17.848 -15.586 1.00 0.00 H new ATOM 1919 N THR A 118 1.175 -15.110 -19.658 1.00 0.00 N ATOM 1920 CA THR A 118 1.260 -15.523 -21.062 1.00 0.00 C ATOM 1921 C THR A 118 2.356 -14.700 -21.748 1.00 0.00 C ATOM 1922 O THR A 118 2.558 -13.537 -21.401 1.00 0.00 O ATOM 1923 CB THR A 118 -0.106 -15.304 -21.784 1.00 0.00 C ATOM 1924 OG1 THR A 118 -0.572 -13.962 -21.556 1.00 0.00 O ATOM 1925 CG2 THR A 118 -1.182 -16.303 -21.306 1.00 0.00 C ATOM 0 H THR A 118 1.085 -14.100 -19.544 1.00 0.00 H new ATOM 0 HA THR A 118 1.502 -16.585 -21.115 1.00 0.00 H new ATOM 0 HB THR A 118 0.060 -15.470 -22.848 1.00 0.00 H new ATOM 0 HG1 THR A 118 -0.828 -13.555 -22.410 1.00 0.00 H new ATOM 0 HG21 THR A 118 -2.116 -16.113 -21.835 1.00 0.00 H new ATOM 0 HG22 THR A 118 -0.850 -17.321 -21.510 1.00 0.00 H new ATOM 0 HG23 THR A 118 -1.341 -16.181 -20.235 1.00 0.00 H new ATOM 1933 N THR A 119 3.060 -15.312 -22.715 1.00 0.00 N ATOM 1934 CA THR A 119 4.181 -14.671 -23.406 1.00 0.00 C ATOM 1935 C THR A 119 3.706 -13.514 -24.295 1.00 0.00 C ATOM 1936 O THR A 119 2.556 -13.488 -24.765 1.00 0.00 O ATOM 1937 CB THR A 119 5.038 -15.695 -24.233 1.00 0.00 C ATOM 1938 OG1 THR A 119 6.218 -15.047 -24.735 1.00 0.00 O ATOM 1939 CG2 THR A 119 4.272 -16.333 -25.404 1.00 0.00 C ATOM 0 H THR A 119 2.866 -16.261 -23.035 1.00 0.00 H new ATOM 0 HA THR A 119 4.828 -14.261 -22.631 1.00 0.00 H new ATOM 0 HB THR A 119 5.299 -16.502 -23.548 1.00 0.00 H new ATOM 0 HG1 THR A 119 6.751 -15.690 -25.249 1.00 0.00 H new ATOM 0 HG21 THR A 119 4.925 -17.029 -25.930 1.00 0.00 H new ATOM 0 HG22 THR A 119 3.404 -16.869 -25.022 1.00 0.00 H new ATOM 0 HG23 THR A 119 3.943 -15.554 -26.091 1.00 0.00 H new ATOM 1947 N PHE A 120 4.605 -12.550 -24.469 1.00 0.00 N ATOM 1948 CA PHE A 120 4.386 -11.362 -25.287 1.00 0.00 C ATOM 1949 C PHE A 120 4.629 -11.757 -26.755 1.00 0.00 C ATOM 1950 O PHE A 120 3.667 -11.876 -27.531 1.00 0.00 O ATOM 1951 CB PHE A 120 5.351 -10.207 -24.872 1.00 0.00 C ATOM 1952 CG PHE A 120 5.325 -9.749 -23.401 1.00 0.00 C ATOM 1953 CD1 PHE A 120 5.234 -10.656 -22.337 1.00 0.00 C ATOM 1954 CD2 PHE A 120 5.441 -8.395 -23.085 1.00 0.00 C ATOM 1955 CE1 PHE A 120 5.261 -10.226 -21.030 1.00 0.00 C ATOM 1956 CE2 PHE A 120 5.466 -7.970 -21.776 1.00 0.00 C ATOM 1957 CZ PHE A 120 5.374 -8.887 -20.750 1.00 0.00 C ATOM 1958 OXT PHE A 120 5.796 -12.020 -27.102 1.00 0.00 O ATOM 0 H PHE A 120 5.528 -12.574 -24.035 1.00 0.00 H new ATOM 0 HA PHE A 120 3.368 -10.998 -25.147 1.00 0.00 H new ATOM 0 HB2 PHE A 120 6.368 -10.518 -25.109 1.00 0.00 H new ATOM 0 HB3 PHE A 120 5.128 -9.342 -25.497 1.00 0.00 H new ATOM 0 HD1 PHE A 120 5.141 -11.711 -22.546 1.00 0.00 H new ATOM 0 HD2 PHE A 120 5.512 -7.668 -23.881 1.00 0.00 H new ATOM 0 HE1 PHE A 120 5.193 -10.942 -20.224 1.00 0.00 H new ATOM 0 HE2 PHE A 120 5.558 -6.917 -21.552 1.00 0.00 H new ATOM 0 HZ PHE A 120 5.391 -8.551 -19.724 1.00 0.00 H new