USER MOD reduce.3.24.130724 H: found=0, std=0, add=586, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 589 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 NoAdj-H: A 115 HIS HD1 : A 115 HIS ND1 : A 1 ZNZN :(H bumps) USER MOD Set 1.1: A 116 LYS NZ :NH3+ -176:sc= -1.56 (180deg=-1.65) USER MOD Set 1.2: A 120 GLN : amide:sc= -0.31 X(o=-1.9,f=-1.7) USER MOD Set 2.1: A 90 GLN : amide:sc= -0.399 K(o=-0.2,f=-1.8) USER MOD Set 2.2: A 94 SER OG : rot 133:sc= 0.199 USER MOD Set 3.1: A 65 GLN : amide:sc= -0.891 K(o=-1.9,f=-0.21) USER MOD Set 3.2: A 68 CYS SG : rot 30:sc= -0.0374 USER MOD Set 3.3: A 108 HIS : no HD1:sc= -1.02 K(o=-1.9,f=-0.78) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 62 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 82 ASN : amide:sc= -1.02 K(o=-1,f=-0.098) USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot 180:sc= -0.0298 USER MOD Single : A 87 LYS NZ :NH3+ -144:sc= -0.341 (180deg=-1.38!) USER MOD Single : A 91 LYS NZ :NH3+ 157:sc= -0.0869 (180deg=-0.854) USER MOD Single : A 92 SER OG : rot 150:sc= -0.0306 USER MOD Single : A 95 GLN : amide:sc= -0.931 K(o=-0.93,f=-1.8!) USER MOD Single : A 96 LYS NZ :NH3+ 147:sc= -3.16! (180deg=-5.72!) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 LYS NZ :NH3+ -141:sc= -0.0145 (180deg=-0.218) USER MOD Single : A 104 LYS NZ :NH3+ 154:sc= -2.11! (180deg=-3.38!) USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD Single : A 110 TYR OH : rot 180:sc= 0 USER MOD Single : A 114 TYR OH : rot 180:sc= 0 USER MOD Single : A 117 ASN : amide:sc= 0 X(o=0,f=-0.01) USER MOD Single : A 121 SER OG : rot -92:sc= 0.252 USER MOD Single : A 124 ASN : amide:sc= -0.123 K(o=-0.12,f=-0.98) USER MOD Single : A 127 LYS NZ :NH3+ 168:sc=-0.00941 (180deg=-0.184) USER MOD Single : A 129 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 131 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 61 -16.574 -6.188 14.242 1.00 0.00 N ATOM 2 CA SER A 61 -17.253 -6.772 13.056 1.00 0.00 C ATOM 3 C SER A 61 -17.042 -5.914 11.809 1.00 0.00 C ATOM 4 O SER A 61 -16.635 -6.423 10.766 1.00 0.00 O ATOM 5 CB SER A 61 -18.747 -6.942 13.330 1.00 0.00 C ATOM 6 OG SER A 61 -18.987 -8.077 14.145 1.00 0.00 O ATOM 0 HA SER A 61 -16.809 -7.750 12.869 1.00 0.00 H new ATOM 0 HB2 SER A 61 -19.135 -6.049 13.820 1.00 0.00 H new ATOM 0 HB3 SER A 61 -19.284 -7.046 12.387 1.00 0.00 H new ATOM 0 HG SER A 61 -19.949 -8.165 14.308 1.00 0.00 H new ATOM 14 N ASN A 62 -17.325 -4.618 11.911 1.00 0.00 N ATOM 15 CA ASN A 62 -17.147 -3.716 10.777 1.00 0.00 C ATOM 16 C ASN A 62 -16.041 -2.704 11.050 1.00 0.00 C ATOM 17 O ASN A 62 -16.182 -1.512 10.776 1.00 0.00 O ATOM 18 CB ASN A 62 -18.456 -3.002 10.434 1.00 0.00 C ATOM 19 CG ASN A 62 -19.108 -3.581 9.193 1.00 0.00 C ATOM 20 OD1 ASN A 62 -19.922 -4.501 9.275 1.00 0.00 O ATOM 21 ND2 ASN A 62 -18.746 -3.048 8.030 1.00 0.00 N ATOM 0 H ASN A 62 -17.675 -4.172 12.759 1.00 0.00 H new ATOM 0 HA ASN A 62 -16.852 -4.318 9.918 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -19.144 -3.081 11.276 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -18.261 -1.941 10.280 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -19.147 -3.401 7.161 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -18.068 -2.286 8.007 1.00 0.00 H new ATOM 28 N ALA A 63 -14.937 -3.201 11.593 1.00 0.00 N ATOM 29 CA ALA A 63 -13.779 -2.373 11.897 1.00 0.00 C ATOM 30 C ALA A 63 -12.506 -3.196 11.756 1.00 0.00 C ATOM 31 O ALA A 63 -11.555 -3.031 12.518 1.00 0.00 O ATOM 32 CB ALA A 63 -13.890 -1.789 13.297 1.00 0.00 C ATOM 0 H ALA A 63 -14.820 -4.185 11.834 1.00 0.00 H new ATOM 0 HA ALA A 63 -13.742 -1.544 11.190 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -13.015 -1.173 13.505 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -14.789 -1.177 13.366 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -13.946 -2.598 14.025 1.00 0.00 H new ATOM 38 N GLY A 64 -12.507 -4.091 10.772 1.00 0.00 N ATOM 39 CA GLY A 64 -11.359 -4.942 10.529 1.00 0.00 C ATOM 40 C GLY A 64 -11.329 -5.465 9.108 1.00 0.00 C ATOM 41 O GLY A 64 -11.251 -6.673 8.881 1.00 0.00 O ATOM 0 H GLY A 64 -13.289 -4.241 10.135 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -10.445 -4.383 10.729 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -11.377 -5.782 11.224 1.00 0.00 H new ATOM 45 N GLN A 65 -11.397 -4.548 8.148 1.00 0.00 N ATOM 46 CA GLN A 65 -11.383 -4.908 6.736 1.00 0.00 C ATOM 47 C GLN A 65 -10.073 -5.591 6.363 1.00 0.00 C ATOM 48 O GLN A 65 -9.191 -5.769 7.203 1.00 0.00 O ATOM 49 CB GLN A 65 -11.573 -3.660 5.873 1.00 0.00 C ATOM 50 CG GLN A 65 -12.825 -2.868 6.210 1.00 0.00 C ATOM 51 CD GLN A 65 -14.069 -3.431 5.552 1.00 0.00 C ATOM 52 OE1 GLN A 65 -14.772 -4.261 6.129 1.00 0.00 O ATOM 53 NE2 GLN A 65 -14.347 -2.979 4.336 1.00 0.00 N ATOM 0 H GLN A 65 -11.463 -3.546 8.325 1.00 0.00 H new ATOM 0 HA GLN A 65 -12.203 -5.603 6.555 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -10.703 -3.014 5.988 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -11.613 -3.957 4.825 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -12.964 -2.858 7.291 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -12.690 -1.833 5.897 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -13.736 -2.291 3.896 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -15.171 -3.320 3.841 1.00 0.00 H new ATOM 62 N LEU A 66 -9.949 -5.964 5.097 1.00 0.00 N ATOM 63 CA LEU A 66 -8.746 -6.621 4.619 1.00 0.00 C ATOM 64 C LEU A 66 -8.077 -5.826 3.508 1.00 0.00 C ATOM 65 O LEU A 66 -8.738 -5.126 2.741 1.00 0.00 O ATOM 66 CB LEU A 66 -9.058 -8.034 4.161 1.00 0.00 C ATOM 67 CG LEU A 66 -8.839 -9.074 5.251 1.00 0.00 C ATOM 68 CD1 LEU A 66 -10.053 -9.191 6.149 1.00 0.00 C ATOM 69 CD2 LEU A 66 -8.482 -10.403 4.648 1.00 0.00 C ATOM 0 H LEU A 66 -10.666 -5.822 4.386 1.00 0.00 H new ATOM 0 HA LEU A 66 -8.043 -6.673 5.450 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -10.094 -8.081 3.825 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -8.433 -8.278 3.302 1.00 0.00 H new ATOM 0 HG LEU A 66 -8.004 -8.745 5.870 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -9.866 -9.941 6.917 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -10.250 -8.229 6.622 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -10.918 -9.487 5.555 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -8.329 -11.134 5.442 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -9.291 -10.737 3.998 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -7.566 -10.304 4.065 1.00 0.00 H new ATOM 81 N CYS A 67 -6.757 -5.936 3.444 1.00 0.00 N ATOM 82 CA CYS A 67 -5.964 -5.231 2.445 1.00 0.00 C ATOM 83 C CYS A 67 -6.466 -5.526 1.031 1.00 0.00 C ATOM 84 O CYS A 67 -7.017 -6.596 0.770 1.00 0.00 O ATOM 85 CB CYS A 67 -4.497 -5.632 2.589 1.00 0.00 C ATOM 86 SG CYS A 67 -3.382 -4.822 1.424 1.00 0.00 S ATOM 0 H CYS A 67 -6.207 -6.514 4.080 1.00 0.00 H new ATOM 0 HA CYS A 67 -6.064 -4.158 2.611 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -4.169 -5.405 3.604 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -4.414 -6.711 2.461 1.00 0.00 H new ATOM 91 N CYS A 68 -6.266 -4.573 0.120 1.00 0.00 N ATOM 92 CA CYS A 68 -6.721 -4.727 -1.259 1.00 0.00 C ATOM 93 C CYS A 68 -5.572 -4.628 -2.263 1.00 0.00 C ATOM 94 O CYS A 68 -5.762 -4.173 -3.391 1.00 0.00 O ATOM 95 CB CYS A 68 -7.787 -3.677 -1.576 1.00 0.00 C ATOM 96 SG CYS A 68 -9.277 -3.822 -0.563 1.00 0.00 S ATOM 0 H CYS A 68 -5.793 -3.690 0.313 1.00 0.00 H new ATOM 0 HA CYS A 68 -7.148 -5.726 -1.353 1.00 0.00 H new ATOM 0 HB2 CYS A 68 -7.359 -2.684 -1.436 1.00 0.00 H new ATOM 0 HB3 CYS A 68 -8.064 -3.760 -2.627 1.00 0.00 H new ATOM 0 HG CYS A 68 -8.967 -4.323 0.596 1.00 0.00 H new ATOM 102 N LEU A 69 -4.384 -5.046 -1.848 1.00 0.00 N ATOM 103 CA LEU A 69 -3.220 -5.041 -2.723 1.00 0.00 C ATOM 104 C LEU A 69 -2.770 -6.470 -2.990 1.00 0.00 C ATOM 105 O LEU A 69 -3.038 -7.371 -2.194 1.00 0.00 O ATOM 106 CB LEU A 69 -2.073 -4.239 -2.110 1.00 0.00 C ATOM 107 CG LEU A 69 -2.380 -2.764 -1.873 1.00 0.00 C ATOM 108 CD1 LEU A 69 -1.148 -2.042 -1.345 1.00 0.00 C ATOM 109 CD2 LEU A 69 -2.874 -2.110 -3.154 1.00 0.00 C ATOM 0 H LEU A 69 -4.201 -5.394 -0.907 1.00 0.00 H new ATOM 0 HA LEU A 69 -3.501 -4.566 -3.663 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -1.796 -4.695 -1.160 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -1.205 -4.314 -2.765 1.00 0.00 H new ATOM 0 HG LEU A 69 -3.169 -2.692 -1.124 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -1.385 -0.991 -1.181 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -0.837 -2.495 -0.404 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -0.339 -2.123 -2.072 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -3.088 -1.058 -2.966 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -2.107 -2.192 -3.924 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -3.782 -2.610 -3.491 1.00 0.00 H new ATOM 121 N ARG A 70 -2.091 -6.677 -4.108 1.00 0.00 N ATOM 122 CA ARG A 70 -1.619 -8.004 -4.469 1.00 0.00 C ATOM 123 C ARG A 70 -0.119 -7.994 -4.726 1.00 0.00 C ATOM 124 O ARG A 70 0.412 -7.051 -5.300 1.00 0.00 O ATOM 125 CB ARG A 70 -2.362 -8.503 -5.709 1.00 0.00 C ATOM 126 CG ARG A 70 -3.863 -8.285 -5.632 1.00 0.00 C ATOM 127 CD ARG A 70 -4.572 -8.743 -6.895 1.00 0.00 C ATOM 128 NE ARG A 70 -5.105 -10.100 -6.761 1.00 0.00 N ATOM 129 CZ ARG A 70 -6.285 -10.500 -7.243 1.00 0.00 C ATOM 130 NH1 ARG A 70 -7.062 -9.670 -7.931 1.00 0.00 N ATOM 131 NH2 ARG A 70 -6.687 -11.748 -7.042 1.00 0.00 N ATOM 0 H ARG A 70 -1.855 -5.945 -4.779 1.00 0.00 H new ATOM 0 HA ARG A 70 -1.818 -8.679 -3.637 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -1.971 -7.992 -6.589 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -2.162 -9.566 -5.842 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -4.264 -8.826 -4.775 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -4.067 -7.227 -5.465 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -5.385 -8.055 -7.125 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -3.878 -8.707 -7.734 1.00 0.00 H new ATOM 0 HE ARG A 70 -4.537 -10.787 -6.266 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -6.760 -8.710 -8.099 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -7.960 -9.993 -8.292 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -6.096 -12.397 -6.522 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -7.587 -12.059 -7.408 1.00 0.00 H new ATOM 145 N GLU A 71 0.559 -9.042 -4.283 1.00 0.00 N ATOM 146 CA GLU A 71 1.996 -9.157 -4.476 1.00 0.00 C ATOM 147 C GLU A 71 2.310 -10.362 -5.358 1.00 0.00 C ATOM 148 O GLU A 71 2.143 -11.507 -4.939 1.00 0.00 O ATOM 149 CB GLU A 71 2.704 -9.293 -3.128 1.00 0.00 C ATOM 150 CG GLU A 71 4.211 -9.126 -3.214 1.00 0.00 C ATOM 151 CD GLU A 71 4.941 -9.869 -2.114 1.00 0.00 C ATOM 152 OE1 GLU A 71 4.284 -10.264 -1.129 1.00 0.00 O ATOM 153 OE2 GLU A 71 6.170 -10.057 -2.239 1.00 0.00 O ATOM 0 H GLU A 71 0.136 -9.826 -3.787 1.00 0.00 H new ATOM 0 HA GLU A 71 2.356 -8.254 -4.969 1.00 0.00 H new ATOM 0 HB2 GLU A 71 2.303 -8.549 -2.440 1.00 0.00 H new ATOM 0 HB3 GLU A 71 2.479 -10.272 -2.706 1.00 0.00 H new ATOM 0 HG2 GLU A 71 4.558 -9.485 -4.183 1.00 0.00 H new ATOM 0 HG3 GLU A 71 4.460 -8.066 -3.159 1.00 0.00 H new ATOM 160 N ASP A 72 2.760 -10.095 -6.581 1.00 0.00 N ATOM 161 CA ASP A 72 3.078 -11.159 -7.526 1.00 0.00 C ATOM 162 C ASP A 72 1.820 -11.943 -7.882 1.00 0.00 C ATOM 163 O ASP A 72 1.865 -13.157 -8.084 1.00 0.00 O ATOM 164 CB ASP A 72 4.134 -12.101 -6.942 1.00 0.00 C ATOM 165 CG ASP A 72 5.454 -11.401 -6.682 1.00 0.00 C ATOM 166 OD1 ASP A 72 5.548 -10.667 -5.679 1.00 0.00 O ATOM 167 OD2 ASP A 72 6.394 -11.588 -7.482 1.00 0.00 O ATOM 0 H ASP A 72 2.912 -9.152 -6.940 1.00 0.00 H new ATOM 0 HA ASP A 72 3.480 -10.704 -8.431 1.00 0.00 H new ATOM 0 HB2 ASP A 72 3.762 -12.526 -6.010 1.00 0.00 H new ATOM 0 HB3 ASP A 72 4.296 -12.932 -7.629 1.00 0.00 H new ATOM 172 N GLY A 73 0.695 -11.236 -7.959 1.00 0.00 N ATOM 173 CA GLY A 73 -0.565 -11.875 -8.286 1.00 0.00 C ATOM 174 C GLY A 73 -1.240 -12.505 -7.078 1.00 0.00 C ATOM 175 O GLY A 73 -2.365 -12.994 -7.178 1.00 0.00 O ATOM 0 H GLY A 73 0.636 -10.230 -7.800 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -1.236 -11.139 -8.728 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -0.392 -12.642 -9.041 1.00 0.00 H new ATOM 179 N GLU A 74 -0.559 -12.489 -5.932 1.00 0.00 N ATOM 180 CA GLU A 74 -1.105 -13.071 -4.711 1.00 0.00 C ATOM 181 C GLU A 74 -1.591 -11.986 -3.750 1.00 0.00 C ATOM 182 O GLU A 74 -0.897 -11.001 -3.505 1.00 0.00 O ATOM 183 CB GLU A 74 -0.049 -13.944 -4.031 1.00 0.00 C ATOM 184 CG GLU A 74 0.547 -15.006 -4.944 1.00 0.00 C ATOM 185 CD GLU A 74 -0.455 -16.077 -5.332 1.00 0.00 C ATOM 186 OE1 GLU A 74 -1.410 -16.305 -4.559 1.00 0.00 O ATOM 187 OE2 GLU A 74 -0.284 -16.691 -6.408 1.00 0.00 O ATOM 0 H GLU A 74 0.369 -12.080 -5.826 1.00 0.00 H new ATOM 0 HA GLU A 74 -1.962 -13.688 -4.982 1.00 0.00 H new ATOM 0 HB2 GLU A 74 0.753 -13.306 -3.659 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -0.496 -14.432 -3.165 1.00 0.00 H new ATOM 0 HG2 GLU A 74 0.930 -14.529 -5.846 1.00 0.00 H new ATOM 0 HG3 GLU A 74 1.396 -15.473 -4.445 1.00 0.00 H new ATOM 194 N ARG A 75 -2.788 -12.185 -3.205 1.00 0.00 N ATOM 195 CA ARG A 75 -3.393 -11.230 -2.276 1.00 0.00 C ATOM 196 C ARG A 75 -2.520 -10.993 -1.048 1.00 0.00 C ATOM 197 O ARG A 75 -1.499 -11.653 -0.855 1.00 0.00 O ATOM 198 CB ARG A 75 -4.761 -11.727 -1.823 1.00 0.00 C ATOM 199 CG ARG A 75 -5.848 -10.681 -1.956 1.00 0.00 C ATOM 200 CD ARG A 75 -6.384 -10.636 -3.373 1.00 0.00 C ATOM 201 NE ARG A 75 -6.712 -11.971 -3.866 1.00 0.00 N ATOM 202 CZ ARG A 75 -7.691 -12.724 -3.373 1.00 0.00 C ATOM 203 NH1 ARG A 75 -8.481 -12.254 -2.416 1.00 0.00 N ATOM 204 NH2 ARG A 75 -7.892 -13.946 -3.848 1.00 0.00 N ATOM 0 H ARG A 75 -3.364 -13.006 -3.392 1.00 0.00 H new ATOM 0 HA ARG A 75 -3.494 -10.286 -2.812 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -5.035 -12.604 -2.410 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -4.698 -12.047 -0.783 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -6.659 -10.903 -1.263 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -5.453 -9.703 -1.681 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -7.273 -10.006 -3.407 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -5.644 -10.177 -4.028 1.00 0.00 H new ATOM 0 HE ARG A 75 -6.157 -12.348 -4.634 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -8.339 -11.311 -2.055 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -9.230 -12.836 -2.042 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -7.296 -14.309 -4.592 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -8.643 -14.523 -3.470 1.00 0.00 H new ATOM 218 N CYS A 76 -2.938 -10.038 -0.222 1.00 0.00 N ATOM 219 CA CYS A 76 -2.220 -9.711 1.002 1.00 0.00 C ATOM 220 C CYS A 76 -2.785 -10.508 2.180 1.00 0.00 C ATOM 221 O CYS A 76 -2.075 -11.296 2.803 1.00 0.00 O ATOM 222 CB CYS A 76 -2.316 -8.212 1.284 1.00 0.00 C ATOM 223 SG CYS A 76 -1.279 -7.647 2.651 1.00 0.00 S ATOM 0 H CYS A 76 -3.774 -9.476 -0.381 1.00 0.00 H new ATOM 0 HA CYS A 76 -1.171 -9.978 0.873 1.00 0.00 H new ATOM 0 HB2 CYS A 76 -2.038 -7.666 0.383 1.00 0.00 H new ATOM 0 HB3 CYS A 76 -3.354 -7.961 1.502 1.00 0.00 H new ATOM 228 N GLY A 77 -4.066 -10.302 2.476 1.00 0.00 N ATOM 229 CA GLY A 77 -4.700 -11.019 3.571 1.00 0.00 C ATOM 230 C GLY A 77 -4.699 -10.236 4.867 1.00 0.00 C ATOM 231 O GLY A 77 -5.645 -10.321 5.652 1.00 0.00 O ATOM 0 H GLY A 77 -4.676 -9.653 1.979 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -5.728 -11.256 3.296 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -4.184 -11.967 3.725 1.00 0.00 H new ATOM 235 N ARG A 78 -3.631 -9.480 5.103 1.00 0.00 N ATOM 236 CA ARG A 78 -3.526 -8.675 6.311 1.00 0.00 C ATOM 237 C ARG A 78 -4.693 -7.701 6.392 1.00 0.00 C ATOM 238 O ARG A 78 -5.172 -7.209 5.371 1.00 0.00 O ATOM 239 CB ARG A 78 -2.202 -7.913 6.332 1.00 0.00 C ATOM 240 CG ARG A 78 -2.039 -7.012 7.543 1.00 0.00 C ATOM 241 CD ARG A 78 -0.715 -6.271 7.507 1.00 0.00 C ATOM 242 NE ARG A 78 -0.524 -5.440 8.697 1.00 0.00 N ATOM 243 CZ ARG A 78 0.522 -5.519 9.527 1.00 0.00 C ATOM 244 NH1 ARG A 78 1.508 -6.391 9.326 1.00 0.00 N ATOM 245 NH2 ARG A 78 0.582 -4.710 10.577 1.00 0.00 N ATOM 0 H ARG A 78 -2.830 -9.409 4.475 1.00 0.00 H new ATOM 0 HA ARG A 78 -3.558 -9.338 7.175 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -1.380 -8.629 6.309 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -2.125 -7.310 5.428 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -2.859 -6.294 7.577 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -2.099 -7.609 8.453 1.00 0.00 H new ATOM 0 HD2 ARG A 78 0.101 -6.989 7.430 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -0.673 -5.645 6.616 1.00 0.00 H new ATOM 0 HE ARG A 78 -1.243 -4.748 8.909 1.00 0.00 H new ATOM 0 HH11 ARG A 78 1.477 -7.020 8.523 1.00 0.00 H new ATOM 0 HH12 ARG A 78 2.294 -6.430 9.975 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -0.165 -4.036 10.745 1.00 0.00 H new ATOM 0 HH22 ARG A 78 1.375 -4.762 11.216 1.00 0.00 H new ATOM 259 N ALA A 79 -5.150 -7.421 7.603 1.00 0.00 N ATOM 260 CA ALA A 79 -6.273 -6.517 7.789 1.00 0.00 C ATOM 261 C ALA A 79 -5.909 -5.085 7.390 1.00 0.00 C ATOM 262 O ALA A 79 -4.770 -4.649 7.566 1.00 0.00 O ATOM 263 CB ALA A 79 -6.750 -6.567 9.230 1.00 0.00 C ATOM 0 H ALA A 79 -4.763 -7.804 8.466 1.00 0.00 H new ATOM 0 HA ALA A 79 -7.083 -6.844 7.137 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -7.591 -5.886 9.359 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -7.064 -7.582 9.474 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -5.938 -6.269 9.893 1.00 0.00 H new ATOM 269 N ALA A 80 -6.887 -4.361 6.849 1.00 0.00 N ATOM 270 CA ALA A 80 -6.680 -2.981 6.417 1.00 0.00 C ATOM 271 C ALA A 80 -6.182 -2.111 7.567 1.00 0.00 C ATOM 272 O ALA A 80 -6.368 -2.448 8.737 1.00 0.00 O ATOM 273 CB ALA A 80 -7.966 -2.411 5.839 1.00 0.00 C ATOM 0 H ALA A 80 -7.834 -4.709 6.699 1.00 0.00 H new ATOM 0 HA ALA A 80 -5.914 -2.981 5.641 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -7.797 -1.382 5.521 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -8.276 -3.009 4.982 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -8.747 -2.433 6.599 1.00 0.00 H new ATOM 279 N GLY A 81 -5.560 -0.984 7.228 1.00 0.00 N ATOM 280 CA GLY A 81 -5.032 -0.096 8.247 1.00 0.00 C ATOM 281 C GLY A 81 -5.679 1.277 8.255 1.00 0.00 C ATOM 282 O GLY A 81 -6.863 1.423 7.951 1.00 0.00 O ATOM 0 H GLY A 81 -5.413 -0.672 6.268 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -5.168 -0.558 9.225 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -3.959 0.019 8.096 1.00 0.00 H new ATOM 286 N ASN A 82 -4.884 2.286 8.599 1.00 0.00 N ATOM 287 CA ASN A 82 -5.363 3.662 8.684 1.00 0.00 C ATOM 288 C ASN A 82 -4.914 4.505 7.487 1.00 0.00 C ATOM 289 O ASN A 82 -5.235 5.691 7.406 1.00 0.00 O ATOM 290 CB ASN A 82 -4.849 4.286 9.988 1.00 0.00 C ATOM 291 CG ASN A 82 -5.912 5.021 10.794 1.00 0.00 C ATOM 292 OD1 ASN A 82 -5.608 6.002 11.470 1.00 0.00 O ATOM 293 ND2 ASN A 82 -7.152 4.537 10.770 1.00 0.00 N ATOM 0 H ASN A 82 -3.896 2.174 8.825 1.00 0.00 H new ATOM 0 HA ASN A 82 -6.453 3.646 8.673 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -4.419 3.500 10.608 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -4.044 4.982 9.751 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -7.884 4.982 11.324 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -7.370 3.721 10.198 1.00 0.00 H new ATOM 300 N ALA A 83 -4.180 3.898 6.558 1.00 0.00 N ATOM 301 CA ALA A 83 -3.704 4.617 5.384 1.00 0.00 C ATOM 302 C ALA A 83 -4.625 4.397 4.190 1.00 0.00 C ATOM 303 O ALA A 83 -5.515 3.547 4.225 1.00 0.00 O ATOM 304 CB ALA A 83 -2.285 4.189 5.042 1.00 0.00 C ATOM 0 H ALA A 83 -3.904 2.917 6.596 1.00 0.00 H new ATOM 0 HA ALA A 83 -3.706 5.682 5.618 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -1.942 4.734 4.163 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -1.627 4.406 5.883 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -2.268 3.119 4.835 1.00 0.00 H new ATOM 310 N SER A 84 -4.404 5.171 3.135 1.00 0.00 N ATOM 311 CA SER A 84 -5.206 5.062 1.926 1.00 0.00 C ATOM 312 C SER A 84 -4.316 4.960 0.694 1.00 0.00 C ATOM 313 O SER A 84 -3.152 5.361 0.720 1.00 0.00 O ATOM 314 CB SER A 84 -6.135 6.272 1.789 1.00 0.00 C ATOM 315 OG SER A 84 -5.397 7.449 1.509 1.00 0.00 O ATOM 0 H SER A 84 -3.674 5.882 3.094 1.00 0.00 H new ATOM 0 HA SER A 84 -5.807 4.156 2.002 1.00 0.00 H new ATOM 0 HB2 SER A 84 -6.857 6.093 0.992 1.00 0.00 H new ATOM 0 HB3 SER A 84 -6.703 6.405 2.710 1.00 0.00 H new ATOM 0 HG SER A 84 -6.011 8.208 1.424 1.00 0.00 H new ATOM 321 N PHE A 85 -4.870 4.415 -0.378 1.00 0.00 N ATOM 322 CA PHE A 85 -4.141 4.267 -1.630 1.00 0.00 C ATOM 323 C PHE A 85 -4.213 5.567 -2.424 1.00 0.00 C ATOM 324 O PHE A 85 -5.198 5.833 -3.111 1.00 0.00 O ATOM 325 CB PHE A 85 -4.741 3.117 -2.431 1.00 0.00 C ATOM 326 CG PHE A 85 -4.022 2.785 -3.707 1.00 0.00 C ATOM 327 CD1 PHE A 85 -2.735 2.270 -3.690 1.00 0.00 C ATOM 328 CD2 PHE A 85 -4.661 2.947 -4.924 1.00 0.00 C ATOM 329 CE1 PHE A 85 -2.101 1.926 -4.870 1.00 0.00 C ATOM 330 CE2 PHE A 85 -4.038 2.594 -6.100 1.00 0.00 C ATOM 331 CZ PHE A 85 -2.760 2.084 -6.076 1.00 0.00 C ATOM 0 H PHE A 85 -5.828 4.066 -0.406 1.00 0.00 H new ATOM 0 HA PHE A 85 -3.094 4.045 -1.423 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -4.760 2.228 -1.801 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -5.776 3.362 -2.669 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -2.224 2.136 -2.748 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -5.660 3.355 -4.952 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -1.094 1.535 -4.850 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -4.552 2.717 -7.042 1.00 0.00 H new ATOM 0 HZ PHE A 85 -2.272 1.807 -6.999 1.00 0.00 H new ATOM 341 N SER A 86 -3.169 6.377 -2.310 1.00 0.00 N ATOM 342 CA SER A 86 -3.120 7.664 -2.993 1.00 0.00 C ATOM 343 C SER A 86 -2.231 7.611 -4.233 1.00 0.00 C ATOM 344 O SER A 86 -1.774 6.543 -4.639 1.00 0.00 O ATOM 345 CB SER A 86 -2.605 8.734 -2.027 1.00 0.00 C ATOM 346 OG SER A 86 -1.357 8.358 -1.470 1.00 0.00 O ATOM 0 H SER A 86 -2.343 6.166 -1.750 1.00 0.00 H new ATOM 0 HA SER A 86 -4.129 7.913 -3.321 1.00 0.00 H new ATOM 0 HB2 SER A 86 -2.501 9.683 -2.552 1.00 0.00 H new ATOM 0 HB3 SER A 86 -3.331 8.889 -1.229 1.00 0.00 H new ATOM 0 HG SER A 86 -1.048 9.058 -0.858 1.00 0.00 H new ATOM 352 N LYS A 87 -2.012 8.775 -4.841 1.00 0.00 N ATOM 353 CA LYS A 87 -1.160 8.872 -6.029 1.00 0.00 C ATOM 354 C LYS A 87 0.307 8.783 -5.626 1.00 0.00 C ATOM 355 O LYS A 87 1.121 8.178 -6.325 1.00 0.00 O ATOM 356 CB LYS A 87 -1.383 10.173 -6.832 1.00 0.00 C ATOM 357 CG LYS A 87 -2.491 11.095 -6.335 1.00 0.00 C ATOM 358 CD LYS A 87 -3.869 10.592 -6.731 1.00 0.00 C ATOM 359 CE LYS A 87 -4.501 11.499 -7.776 1.00 0.00 C ATOM 360 NZ LYS A 87 -4.501 12.927 -7.347 1.00 0.00 N ATOM 0 H LYS A 87 -2.410 9.662 -4.534 1.00 0.00 H new ATOM 0 HA LYS A 87 -1.435 8.038 -6.675 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -0.449 10.735 -6.839 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -1.601 9.904 -7.865 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -2.434 11.179 -5.250 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -2.340 12.095 -6.741 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -3.791 9.578 -7.124 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -4.510 10.544 -5.850 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -3.958 11.403 -8.716 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -5.525 11.177 -7.965 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -5.371 13.389 -7.679 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -4.456 12.978 -6.309 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -3.675 13.411 -7.753 1.00 0.00 H new ATOM 374 N ARG A 88 0.636 9.401 -4.496 1.00 0.00 N ATOM 375 CA ARG A 88 1.999 9.397 -3.983 1.00 0.00 C ATOM 376 C ARG A 88 2.524 7.969 -3.898 1.00 0.00 C ATOM 377 O ARG A 88 3.652 7.685 -4.302 1.00 0.00 O ATOM 378 CB ARG A 88 2.036 10.078 -2.610 1.00 0.00 C ATOM 379 CG ARG A 88 3.313 9.839 -1.812 1.00 0.00 C ATOM 380 CD ARG A 88 3.158 8.694 -0.819 1.00 0.00 C ATOM 381 NE ARG A 88 1.869 8.733 -0.129 1.00 0.00 N ATOM 382 CZ ARG A 88 1.616 9.490 0.934 1.00 0.00 C ATOM 383 NH1 ARG A 88 2.560 10.271 1.440 1.00 0.00 N ATOM 384 NH2 ARG A 88 0.412 9.469 1.490 1.00 0.00 N ATOM 0 H ARG A 88 -0.028 9.914 -3.916 1.00 0.00 H new ATOM 0 HA ARG A 88 2.643 9.954 -4.663 1.00 0.00 H new ATOM 0 HB2 ARG A 88 1.907 11.151 -2.749 1.00 0.00 H new ATOM 0 HB3 ARG A 88 1.187 9.728 -2.023 1.00 0.00 H new ATOM 0 HG2 ARG A 88 4.132 9.618 -2.496 1.00 0.00 H new ATOM 0 HG3 ARG A 88 3.582 10.750 -1.277 1.00 0.00 H new ATOM 0 HD2 ARG A 88 3.259 7.744 -1.344 1.00 0.00 H new ATOM 0 HD3 ARG A 88 3.963 8.740 -0.085 1.00 0.00 H new ATOM 0 HE ARG A 88 1.118 8.143 -0.486 1.00 0.00 H new ATOM 0 HH11 ARG A 88 3.486 10.293 1.014 1.00 0.00 H new ATOM 0 HH12 ARG A 88 2.360 10.850 2.256 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -0.319 8.872 1.102 1.00 0.00 H new ATOM 0 HH22 ARG A 88 0.217 10.049 2.306 1.00 0.00 H new ATOM 398 N ILE A 89 1.694 7.074 -3.377 1.00 0.00 N ATOM 399 CA ILE A 89 2.066 5.674 -3.255 1.00 0.00 C ATOM 400 C ILE A 89 2.175 5.039 -4.638 1.00 0.00 C ATOM 401 O ILE A 89 3.076 4.244 -4.899 1.00 0.00 O ATOM 402 CB ILE A 89 1.046 4.897 -2.402 1.00 0.00 C ATOM 403 CG1 ILE A 89 0.841 5.607 -1.062 1.00 0.00 C ATOM 404 CG2 ILE A 89 1.510 3.466 -2.184 1.00 0.00 C ATOM 405 CD1 ILE A 89 -0.063 4.859 -0.108 1.00 0.00 C ATOM 0 H ILE A 89 0.759 7.295 -3.033 1.00 0.00 H new ATOM 0 HA ILE A 89 3.034 5.626 -2.756 1.00 0.00 H new ATOM 0 HB ILE A 89 0.095 4.866 -2.933 1.00 0.00 H new ATOM 0 HG12 ILE A 89 1.811 5.755 -0.588 1.00 0.00 H new ATOM 0 HG13 ILE A 89 0.421 6.596 -1.246 1.00 0.00 H new ATOM 0 HG21 ILE A 89 0.776 2.934 -1.579 1.00 0.00 H new ATOM 0 HG22 ILE A 89 1.617 2.967 -3.147 1.00 0.00 H new ATOM 0 HG23 ILE A 89 2.471 3.469 -1.669 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -0.160 5.424 0.819 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -1.046 4.733 -0.561 1.00 0.00 H new ATOM 0 HD13 ILE A 89 0.365 3.880 0.107 1.00 0.00 H new ATOM 417 N GLN A 90 1.250 5.406 -5.522 1.00 0.00 N ATOM 418 CA GLN A 90 1.254 4.899 -6.891 1.00 0.00 C ATOM 419 C GLN A 90 2.604 5.184 -7.535 1.00 0.00 C ATOM 420 O GLN A 90 3.244 4.294 -8.097 1.00 0.00 O ATOM 421 CB GLN A 90 0.123 5.554 -7.691 1.00 0.00 C ATOM 422 CG GLN A 90 0.198 5.318 -9.191 1.00 0.00 C ATOM 423 CD GLN A 90 0.926 6.432 -9.921 1.00 0.00 C ATOM 424 OE1 GLN A 90 2.109 6.315 -10.238 1.00 0.00 O ATOM 425 NE2 GLN A 90 0.221 7.528 -10.178 1.00 0.00 N ATOM 0 H GLN A 90 0.489 6.052 -5.314 1.00 0.00 H new ATOM 0 HA GLN A 90 1.091 3.821 -6.883 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -0.831 5.177 -7.323 1.00 0.00 H new ATOM 0 HB3 GLN A 90 0.136 6.628 -7.503 1.00 0.00 H new ATOM 0 HG2 GLN A 90 0.705 4.372 -9.381 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -0.812 5.225 -9.591 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -0.758 7.582 -9.897 1.00 0.00 H new ATOM 0 HE22 GLN A 90 0.659 8.315 -10.656 1.00 0.00 H new ATOM 434 N LYS A 91 3.028 6.440 -7.441 1.00 0.00 N ATOM 435 CA LYS A 91 4.314 6.869 -7.976 1.00 0.00 C ATOM 436 C LYS A 91 5.429 6.065 -7.316 1.00 0.00 C ATOM 437 O LYS A 91 6.288 5.496 -7.992 1.00 0.00 O ATOM 438 CB LYS A 91 4.482 8.378 -7.721 1.00 0.00 C ATOM 439 CG LYS A 91 5.919 8.895 -7.691 1.00 0.00 C ATOM 440 CD LYS A 91 6.455 9.187 -9.081 1.00 0.00 C ATOM 441 CE LYS A 91 7.427 10.355 -9.054 1.00 0.00 C ATOM 442 NZ LYS A 91 8.292 10.332 -7.840 1.00 0.00 N ATOM 0 H LYS A 91 2.493 7.185 -6.994 1.00 0.00 H new ATOM 0 HA LYS A 91 4.361 6.693 -9.051 1.00 0.00 H new ATOM 0 HB2 LYS A 91 3.938 8.920 -8.494 1.00 0.00 H new ATOM 0 HB3 LYS A 91 4.009 8.621 -6.769 1.00 0.00 H new ATOM 0 HG2 LYS A 91 5.964 9.802 -7.089 1.00 0.00 H new ATOM 0 HG3 LYS A 91 6.558 8.158 -7.205 1.00 0.00 H new ATOM 0 HD2 LYS A 91 6.955 8.302 -9.476 1.00 0.00 H new ATOM 0 HD3 LYS A 91 5.628 9.413 -9.754 1.00 0.00 H new ATOM 0 HE2 LYS A 91 8.053 10.327 -9.946 1.00 0.00 H new ATOM 0 HE3 LYS A 91 6.870 11.291 -9.085 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 9.163 10.869 -8.024 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 7.782 10.762 -7.042 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 8.535 9.348 -7.605 1.00 0.00 H new ATOM 456 N SER A 92 5.401 6.018 -5.986 1.00 0.00 N ATOM 457 CA SER A 92 6.399 5.279 -5.222 1.00 0.00 C ATOM 458 C SER A 92 6.563 3.874 -5.789 1.00 0.00 C ATOM 459 O SER A 92 7.678 3.393 -5.963 1.00 0.00 O ATOM 460 CB SER A 92 5.995 5.210 -3.748 1.00 0.00 C ATOM 461 OG SER A 92 6.963 4.513 -2.983 1.00 0.00 O ATOM 0 H SER A 92 4.696 6.485 -5.416 1.00 0.00 H new ATOM 0 HA SER A 92 7.353 5.801 -5.298 1.00 0.00 H new ATOM 0 HB2 SER A 92 5.874 6.219 -3.354 1.00 0.00 H new ATOM 0 HB3 SER A 92 5.029 4.714 -3.656 1.00 0.00 H new ATOM 0 HG SER A 92 6.971 4.864 -2.068 1.00 0.00 H new ATOM 467 N ILE A 93 5.439 3.226 -6.085 1.00 0.00 N ATOM 468 CA ILE A 93 5.458 1.883 -6.650 1.00 0.00 C ATOM 469 C ILE A 93 6.076 1.904 -8.046 1.00 0.00 C ATOM 470 O ILE A 93 6.923 1.073 -8.376 1.00 0.00 O ATOM 471 CB ILE A 93 4.032 1.287 -6.734 1.00 0.00 C ATOM 472 CG1 ILE A 93 3.431 1.142 -5.335 1.00 0.00 C ATOM 473 CG2 ILE A 93 4.047 -0.062 -7.444 1.00 0.00 C ATOM 474 CD1 ILE A 93 2.002 0.642 -5.343 1.00 0.00 C ATOM 0 H ILE A 93 4.505 3.610 -5.942 1.00 0.00 H new ATOM 0 HA ILE A 93 6.060 1.258 -5.990 1.00 0.00 H new ATOM 0 HB ILE A 93 3.412 1.972 -7.313 1.00 0.00 H new ATOM 0 HG12 ILE A 93 4.045 0.455 -4.753 1.00 0.00 H new ATOM 0 HG13 ILE A 93 3.467 2.107 -4.830 1.00 0.00 H new ATOM 0 HG21 ILE A 93 3.033 -0.460 -7.490 1.00 0.00 H new ATOM 0 HG22 ILE A 93 4.434 0.063 -8.455 1.00 0.00 H new ATOM 0 HG23 ILE A 93 4.684 -0.755 -6.895 1.00 0.00 H new ATOM 0 HD11 ILE A 93 1.639 0.563 -4.318 1.00 0.00 H new ATOM 0 HD12 ILE A 93 1.375 1.341 -5.897 1.00 0.00 H new ATOM 0 HD13 ILE A 93 1.962 -0.338 -5.819 1.00 0.00 H new ATOM 486 N SER A 94 5.646 2.865 -8.858 1.00 0.00 N ATOM 487 CA SER A 94 6.145 3.000 -10.222 1.00 0.00 C ATOM 488 C SER A 94 7.666 3.106 -10.245 1.00 0.00 C ATOM 489 O SER A 94 8.319 2.560 -11.135 1.00 0.00 O ATOM 490 CB SER A 94 5.524 4.224 -10.894 1.00 0.00 C ATOM 491 OG SER A 94 4.118 4.085 -11.004 1.00 0.00 O ATOM 0 H SER A 94 4.951 3.563 -8.594 1.00 0.00 H new ATOM 0 HA SER A 94 5.859 2.105 -10.774 1.00 0.00 H new ATOM 0 HB2 SER A 94 5.760 5.119 -10.318 1.00 0.00 H new ATOM 0 HB3 SER A 94 5.958 4.359 -11.885 1.00 0.00 H new ATOM 0 HG SER A 94 3.683 4.911 -10.706 1.00 0.00 H new ATOM 497 N GLN A 95 8.228 3.813 -9.270 1.00 0.00 N ATOM 498 CA GLN A 95 9.673 3.974 -9.196 1.00 0.00 C ATOM 499 C GLN A 95 10.329 2.646 -8.840 1.00 0.00 C ATOM 500 O GLN A 95 11.379 2.295 -9.378 1.00 0.00 O ATOM 501 CB GLN A 95 10.049 5.051 -8.178 1.00 0.00 C ATOM 502 CG GLN A 95 11.305 5.816 -8.556 1.00 0.00 C ATOM 503 CD GLN A 95 11.242 6.371 -9.967 1.00 0.00 C ATOM 504 OE1 GLN A 95 11.600 5.691 -10.929 1.00 0.00 O ATOM 505 NE2 GLN A 95 10.787 7.612 -10.097 1.00 0.00 N ATOM 0 H GLN A 95 7.709 4.280 -8.526 1.00 0.00 H new ATOM 0 HA GLN A 95 10.037 4.294 -10.173 1.00 0.00 H new ATOM 0 HB2 GLN A 95 9.220 5.752 -8.077 1.00 0.00 H new ATOM 0 HB3 GLN A 95 10.194 4.586 -7.203 1.00 0.00 H new ATOM 0 HG2 GLN A 95 11.454 6.635 -7.853 1.00 0.00 H new ATOM 0 HG3 GLN A 95 12.169 5.158 -8.466 1.00 0.00 H new ATOM 0 HE21 GLN A 95 10.501 8.139 -9.272 1.00 0.00 H new ATOM 0 HE22 GLN A 95 10.723 8.038 -11.022 1.00 0.00 H new ATOM 514 N LYS A 96 9.702 1.912 -7.927 1.00 0.00 N ATOM 515 CA LYS A 96 10.210 0.607 -7.526 1.00 0.00 C ATOM 516 C LYS A 96 9.953 -0.404 -8.634 1.00 0.00 C ATOM 517 O LYS A 96 10.698 -1.371 -8.796 1.00 0.00 O ATOM 518 CB LYS A 96 9.534 0.130 -6.236 1.00 0.00 C ATOM 519 CG LYS A 96 9.695 1.087 -5.068 1.00 0.00 C ATOM 520 CD LYS A 96 9.231 0.463 -3.762 1.00 0.00 C ATOM 521 CE LYS A 96 10.178 -0.635 -3.305 1.00 0.00 C ATOM 522 NZ LYS A 96 11.594 -0.320 -3.640 1.00 0.00 N ATOM 0 H LYS A 96 8.845 2.198 -7.453 1.00 0.00 H new ATOM 0 HA LYS A 96 11.281 0.696 -7.345 1.00 0.00 H new ATOM 0 HB2 LYS A 96 8.471 -0.019 -6.428 1.00 0.00 H new ATOM 0 HB3 LYS A 96 9.947 -0.840 -5.958 1.00 0.00 H new ATOM 0 HG2 LYS A 96 10.741 1.381 -4.980 1.00 0.00 H new ATOM 0 HG3 LYS A 96 9.124 1.995 -5.260 1.00 0.00 H new ATOM 0 HD2 LYS A 96 9.165 1.232 -2.993 1.00 0.00 H new ATOM 0 HD3 LYS A 96 8.229 0.052 -3.889 1.00 0.00 H new ATOM 0 HE2 LYS A 96 10.082 -0.773 -2.228 1.00 0.00 H new ATOM 0 HE3 LYS A 96 9.895 -1.577 -3.774 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 12.219 -0.711 -2.907 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 11.835 -0.740 -4.560 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 11.718 0.711 -3.687 1.00 0.00 H new ATOM 536 N LYS A 97 8.891 -0.163 -9.401 1.00 0.00 N ATOM 537 CA LYS A 97 8.512 -1.050 -10.489 1.00 0.00 C ATOM 538 C LYS A 97 8.377 -2.474 -9.965 1.00 0.00 C ATOM 539 O LYS A 97 9.244 -3.318 -10.188 1.00 0.00 O ATOM 540 CB LYS A 97 9.544 -0.991 -11.619 1.00 0.00 C ATOM 541 CG LYS A 97 8.929 -0.939 -13.011 1.00 0.00 C ATOM 542 CD LYS A 97 8.371 0.441 -13.331 1.00 0.00 C ATOM 543 CE LYS A 97 8.021 0.567 -14.807 1.00 0.00 C ATOM 544 NZ LYS A 97 7.333 1.853 -15.111 1.00 0.00 N ATOM 0 H LYS A 97 8.278 0.644 -9.285 1.00 0.00 H new ATOM 0 HA LYS A 97 7.552 -0.725 -10.891 1.00 0.00 H new ATOM 0 HB2 LYS A 97 10.174 -0.113 -11.477 1.00 0.00 H new ATOM 0 HB3 LYS A 97 10.193 -1.864 -11.551 1.00 0.00 H new ATOM 0 HG2 LYS A 97 9.682 -1.207 -13.752 1.00 0.00 H new ATOM 0 HG3 LYS A 97 8.132 -1.679 -13.084 1.00 0.00 H new ATOM 0 HD2 LYS A 97 7.482 0.625 -12.727 1.00 0.00 H new ATOM 0 HD3 LYS A 97 9.103 1.203 -13.062 1.00 0.00 H new ATOM 0 HE2 LYS A 97 8.931 0.493 -15.403 1.00 0.00 H new ATOM 0 HE3 LYS A 97 7.380 -0.265 -15.100 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 7.113 1.897 -16.126 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 6.451 1.913 -14.563 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 7.954 2.648 -14.856 1.00 0.00 H new ATOM 558 N VAL A 98 7.287 -2.721 -9.248 1.00 0.00 N ATOM 559 CA VAL A 98 7.028 -4.030 -8.667 1.00 0.00 C ATOM 560 C VAL A 98 5.691 -4.592 -9.138 1.00 0.00 C ATOM 561 O VAL A 98 4.941 -3.922 -9.848 1.00 0.00 O ATOM 562 CB VAL A 98 7.032 -3.960 -7.129 1.00 0.00 C ATOM 563 CG1 VAL A 98 8.431 -3.666 -6.613 1.00 0.00 C ATOM 564 CG2 VAL A 98 6.047 -2.907 -6.643 1.00 0.00 C ATOM 0 H VAL A 98 6.565 -2.026 -9.055 1.00 0.00 H new ATOM 0 HA VAL A 98 7.827 -4.692 -9.001 1.00 0.00 H new ATOM 0 HB VAL A 98 6.720 -4.928 -6.737 1.00 0.00 H new ATOM 0 HG11 VAL A 98 8.415 -3.620 -5.524 1.00 0.00 H new ATOM 0 HG12 VAL A 98 9.110 -4.456 -6.933 1.00 0.00 H new ATOM 0 HG13 VAL A 98 8.772 -2.711 -7.011 1.00 0.00 H new ATOM 0 HG21 VAL A 98 6.062 -2.870 -5.554 1.00 0.00 H new ATOM 0 HG22 VAL A 98 6.329 -1.933 -7.043 1.00 0.00 H new ATOM 0 HG23 VAL A 98 5.044 -3.163 -6.984 1.00 0.00 H new ATOM 574 N LYS A 99 5.397 -5.823 -8.735 1.00 0.00 N ATOM 575 CA LYS A 99 4.153 -6.474 -9.125 1.00 0.00 C ATOM 576 C LYS A 99 3.058 -6.238 -8.091 1.00 0.00 C ATOM 577 O LYS A 99 2.470 -7.184 -7.568 1.00 0.00 O ATOM 578 CB LYS A 99 4.374 -7.975 -9.318 1.00 0.00 C ATOM 579 CG LYS A 99 5.498 -8.301 -10.286 1.00 0.00 C ATOM 580 CD LYS A 99 5.455 -9.756 -10.722 1.00 0.00 C ATOM 581 CE LYS A 99 6.662 -10.119 -11.570 1.00 0.00 C ATOM 582 NZ LYS A 99 6.811 -9.214 -12.744 1.00 0.00 N ATOM 0 H LYS A 99 6.002 -6.389 -8.140 1.00 0.00 H new ATOM 0 HA LYS A 99 3.830 -6.036 -10.070 1.00 0.00 H new ATOM 0 HB2 LYS A 99 4.594 -8.429 -8.352 1.00 0.00 H new ATOM 0 HB3 LYS A 99 3.451 -8.427 -9.680 1.00 0.00 H new ATOM 0 HG2 LYS A 99 5.424 -7.656 -11.161 1.00 0.00 H new ATOM 0 HG3 LYS A 99 6.458 -8.090 -9.815 1.00 0.00 H new ATOM 0 HD2 LYS A 99 5.420 -10.399 -9.843 1.00 0.00 H new ATOM 0 HD3 LYS A 99 4.542 -9.940 -11.289 1.00 0.00 H new ATOM 0 HE2 LYS A 99 7.563 -10.071 -10.958 1.00 0.00 H new ATOM 0 HE3 LYS A 99 6.566 -11.148 -11.915 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 7.117 -9.766 -13.571 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 5.899 -8.759 -12.949 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 7.522 -8.485 -12.532 1.00 0.00 H new ATOM 596 N ILE A 100 2.793 -4.970 -7.799 1.00 0.00 N ATOM 597 CA ILE A 100 1.757 -4.612 -6.841 1.00 0.00 C ATOM 598 C ILE A 100 0.687 -3.760 -7.509 1.00 0.00 C ATOM 599 O ILE A 100 0.967 -2.668 -8.002 1.00 0.00 O ATOM 600 CB ILE A 100 2.334 -3.859 -5.624 1.00 0.00 C ATOM 601 CG1 ILE A 100 3.362 -4.730 -4.901 1.00 0.00 C ATOM 602 CG2 ILE A 100 1.219 -3.449 -4.669 1.00 0.00 C ATOM 603 CD1 ILE A 100 4.010 -4.046 -3.717 1.00 0.00 C ATOM 0 H ILE A 100 3.281 -4.175 -8.212 1.00 0.00 H new ATOM 0 HA ILE A 100 1.313 -5.541 -6.484 1.00 0.00 H new ATOM 0 HB ILE A 100 2.830 -2.956 -5.980 1.00 0.00 H new ATOM 0 HG12 ILE A 100 2.876 -5.644 -4.560 1.00 0.00 H new ATOM 0 HG13 ILE A 100 4.137 -5.025 -5.608 1.00 0.00 H new ATOM 0 HG21 ILE A 100 1.646 -2.919 -3.817 1.00 0.00 H new ATOM 0 HG22 ILE A 100 0.517 -2.796 -5.188 1.00 0.00 H new ATOM 0 HG23 ILE A 100 0.695 -4.338 -4.318 1.00 0.00 H new ATOM 0 HD11 ILE A 100 4.727 -4.723 -3.253 1.00 0.00 H new ATOM 0 HD12 ILE A 100 4.525 -3.146 -4.054 1.00 0.00 H new ATOM 0 HD13 ILE A 100 3.245 -3.775 -2.990 1.00 0.00 H new ATOM 615 N GLU A 101 -0.538 -4.270 -7.531 1.00 0.00 N ATOM 616 CA GLU A 101 -1.645 -3.556 -8.146 1.00 0.00 C ATOM 617 C GLU A 101 -2.849 -3.507 -7.215 1.00 0.00 C ATOM 618 O GLU A 101 -2.836 -4.090 -6.130 1.00 0.00 O ATOM 619 CB GLU A 101 -2.028 -4.208 -9.473 1.00 0.00 C ATOM 620 CG GLU A 101 -2.316 -5.695 -9.361 1.00 0.00 C ATOM 621 CD GLU A 101 -2.763 -6.299 -10.677 1.00 0.00 C ATOM 622 OE1 GLU A 101 -3.808 -5.863 -11.203 1.00 0.00 O ATOM 623 OE2 GLU A 101 -2.069 -7.207 -11.179 1.00 0.00 O ATOM 0 H GLU A 101 -0.788 -5.174 -7.130 1.00 0.00 H new ATOM 0 HA GLU A 101 -1.322 -2.533 -8.337 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -2.908 -3.705 -9.874 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -1.220 -4.056 -10.189 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -1.420 -6.210 -9.014 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -3.089 -5.857 -8.609 1.00 0.00 H new ATOM 630 N LEU A 102 -3.891 -2.816 -7.653 1.00 0.00 N ATOM 631 CA LEU A 102 -5.097 -2.670 -6.856 1.00 0.00 C ATOM 632 C LEU A 102 -6.207 -3.612 -7.323 1.00 0.00 C ATOM 633 O LEU A 102 -6.574 -3.623 -8.498 1.00 0.00 O ATOM 634 CB LEU A 102 -5.587 -1.220 -6.917 1.00 0.00 C ATOM 635 CG LEU A 102 -6.967 -0.997 -6.313 1.00 0.00 C ATOM 636 CD1 LEU A 102 -6.909 -0.039 -5.140 1.00 0.00 C ATOM 637 CD2 LEU A 102 -7.947 -0.505 -7.363 1.00 0.00 C ATOM 0 H LEU A 102 -3.924 -2.347 -8.558 1.00 0.00 H new ATOM 0 HA LEU A 102 -4.849 -2.934 -5.828 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -4.869 -0.585 -6.398 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -5.603 -0.898 -7.958 1.00 0.00 H new ATOM 0 HG LEU A 102 -7.322 -1.958 -5.940 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -7.911 0.098 -4.732 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -6.256 -0.447 -4.369 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -6.519 0.922 -5.474 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -8.925 -0.354 -6.906 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -7.591 0.437 -7.779 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -8.029 -1.245 -8.159 1.00 0.00 H new ATOM 649 N ASP A 103 -6.735 -4.404 -6.392 1.00 0.00 N ATOM 650 CA ASP A 103 -7.827 -5.319 -6.701 1.00 0.00 C ATOM 651 C ASP A 103 -9.077 -4.508 -7.016 1.00 0.00 C ATOM 652 O ASP A 103 -9.532 -3.716 -6.190 1.00 0.00 O ATOM 653 CB ASP A 103 -8.092 -6.256 -5.520 1.00 0.00 C ATOM 654 CG ASP A 103 -9.166 -7.288 -5.818 1.00 0.00 C ATOM 655 OD1 ASP A 103 -9.630 -7.345 -6.976 1.00 0.00 O ATOM 656 OD2 ASP A 103 -9.542 -8.039 -4.892 1.00 0.00 O ATOM 0 H ASP A 103 -6.424 -4.429 -5.421 1.00 0.00 H new ATOM 0 HA ASP A 103 -7.555 -5.928 -7.563 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -7.167 -6.767 -5.253 1.00 0.00 H new ATOM 0 HB3 ASP A 103 -8.392 -5.666 -4.654 1.00 0.00 H new ATOM 661 N LYS A 104 -9.628 -4.696 -8.208 1.00 0.00 N ATOM 662 CA LYS A 104 -10.811 -3.949 -8.622 1.00 0.00 C ATOM 663 C LYS A 104 -12.094 -4.536 -8.036 1.00 0.00 C ATOM 664 O LYS A 104 -13.123 -3.864 -7.988 1.00 0.00 O ATOM 665 CB LYS A 104 -10.896 -3.902 -10.147 1.00 0.00 C ATOM 666 CG LYS A 104 -9.703 -3.218 -10.794 1.00 0.00 C ATOM 667 CD LYS A 104 -10.127 -2.032 -11.647 1.00 0.00 C ATOM 668 CE LYS A 104 -10.806 -2.476 -12.933 1.00 0.00 C ATOM 669 NZ LYS A 104 -12.151 -3.064 -12.685 1.00 0.00 N ATOM 0 H LYS A 104 -9.278 -5.356 -8.903 1.00 0.00 H new ATOM 0 HA LYS A 104 -10.712 -2.935 -8.235 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -10.976 -4.919 -10.531 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -11.807 -3.379 -10.437 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -9.013 -2.881 -10.020 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -9.163 -3.936 -11.412 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -10.807 -1.399 -11.077 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -9.253 -1.426 -11.888 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -10.903 -1.623 -13.604 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -10.178 -3.210 -13.439 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -12.742 -2.948 -13.533 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -12.053 -4.076 -12.468 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -12.599 -2.579 -11.881 1.00 0.00 H new ATOM 683 N SER A 105 -12.032 -5.786 -7.594 1.00 0.00 N ATOM 684 CA SER A 105 -13.200 -6.442 -7.011 1.00 0.00 C ATOM 685 C SER A 105 -13.578 -5.820 -5.664 1.00 0.00 C ATOM 686 O SER A 105 -14.647 -6.105 -5.123 1.00 0.00 O ATOM 687 CB SER A 105 -12.935 -7.939 -6.832 1.00 0.00 C ATOM 688 OG SER A 105 -12.776 -8.585 -8.083 1.00 0.00 O ATOM 0 H SER A 105 -11.192 -6.364 -7.627 1.00 0.00 H new ATOM 0 HA SER A 105 -14.034 -6.301 -7.698 1.00 0.00 H new ATOM 0 HB2 SER A 105 -12.038 -8.083 -6.229 1.00 0.00 H new ATOM 0 HB3 SER A 105 -13.762 -8.395 -6.287 1.00 0.00 H new ATOM 0 HG SER A 105 -12.606 -9.539 -7.939 1.00 0.00 H new ATOM 694 N ALA A 106 -12.705 -4.966 -5.129 1.00 0.00 N ATOM 695 CA ALA A 106 -12.950 -4.325 -3.840 1.00 0.00 C ATOM 696 C ALA A 106 -13.925 -3.154 -3.958 1.00 0.00 C ATOM 697 O ALA A 106 -14.467 -2.885 -5.031 1.00 0.00 O ATOM 698 CB ALA A 106 -11.636 -3.852 -3.237 1.00 0.00 C ATOM 0 H ALA A 106 -11.823 -4.703 -5.569 1.00 0.00 H new ATOM 0 HA ALA A 106 -13.407 -5.067 -3.185 1.00 0.00 H new ATOM 0 HB1 ALA A 106 -11.828 -3.375 -2.276 1.00 0.00 H new ATOM 0 HB2 ALA A 106 -10.974 -4.706 -3.093 1.00 0.00 H new ATOM 0 HB3 ALA A 106 -11.164 -3.136 -3.910 1.00 0.00 H new ATOM 704 N ARG A 107 -14.140 -2.465 -2.838 1.00 0.00 N ATOM 705 CA ARG A 107 -15.042 -1.315 -2.793 1.00 0.00 C ATOM 706 C ARG A 107 -14.373 -0.125 -2.118 1.00 0.00 C ATOM 707 O ARG A 107 -14.477 1.008 -2.587 1.00 0.00 O ATOM 708 CB ARG A 107 -16.327 -1.661 -2.035 1.00 0.00 C ATOM 709 CG ARG A 107 -17.538 -1.826 -2.936 1.00 0.00 C ATOM 710 CD ARG A 107 -18.251 -3.138 -2.672 1.00 0.00 C ATOM 711 NE ARG A 107 -17.327 -4.267 -2.681 1.00 0.00 N ATOM 712 CZ ARG A 107 -17.715 -5.535 -2.703 1.00 0.00 C ATOM 713 NH1 ARG A 107 -19.003 -5.836 -2.766 1.00 0.00 N ATOM 714 NH2 ARG A 107 -16.811 -6.504 -2.671 1.00 0.00 N ATOM 0 H ARG A 107 -13.699 -2.685 -1.945 1.00 0.00 H new ATOM 0 HA ARG A 107 -15.288 -1.053 -3.822 1.00 0.00 H new ATOM 0 HB2 ARG A 107 -16.172 -2.584 -1.476 1.00 0.00 H new ATOM 0 HB3 ARG A 107 -16.531 -0.877 -1.306 1.00 0.00 H new ATOM 0 HG2 ARG A 107 -18.228 -0.997 -2.776 1.00 0.00 H new ATOM 0 HG3 ARG A 107 -17.225 -1.784 -3.979 1.00 0.00 H new ATOM 0 HD2 ARG A 107 -18.757 -3.090 -1.708 1.00 0.00 H new ATOM 0 HD3 ARG A 107 -19.021 -3.292 -3.428 1.00 0.00 H new ATOM 0 HE ARG A 107 -16.326 -4.070 -2.670 1.00 0.00 H new ATOM 0 HH11 ARG A 107 -19.700 -5.092 -2.798 1.00 0.00 H new ATOM 0 HH12 ARG A 107 -19.298 -6.812 -2.783 1.00 0.00 H new ATOM 0 HH21 ARG A 107 -15.818 -6.274 -2.629 1.00 0.00 H new ATOM 0 HH22 ARG A 107 -17.108 -7.480 -2.688 1.00 0.00 H new ATOM 728 N HIS A 108 -13.692 -0.392 -1.011 1.00 0.00 N ATOM 729 CA HIS A 108 -13.022 0.656 -0.255 1.00 0.00 C ATOM 730 C HIS A 108 -11.576 0.835 -0.702 1.00 0.00 C ATOM 731 O HIS A 108 -11.074 0.097 -1.551 1.00 0.00 O ATOM 732 CB HIS A 108 -13.058 0.329 1.239 1.00 0.00 C ATOM 733 CG HIS A 108 -12.268 -0.891 1.603 1.00 0.00 C ATOM 734 ND1 HIS A 108 -10.909 -0.864 1.835 1.00 0.00 N ATOM 735 CD2 HIS A 108 -12.650 -2.179 1.775 1.00 0.00 C ATOM 736 CE1 HIS A 108 -10.489 -2.081 2.131 1.00 0.00 C ATOM 737 NE2 HIS A 108 -11.526 -2.897 2.104 1.00 0.00 N ATOM 0 H HIS A 108 -13.590 -1.327 -0.617 1.00 0.00 H new ATOM 0 HA HIS A 108 -13.553 1.589 -0.442 1.00 0.00 H new ATOM 0 HB2 HIS A 108 -12.673 1.182 1.799 1.00 0.00 H new ATOM 0 HB3 HIS A 108 -14.094 0.187 1.547 1.00 0.00 H new ATOM 0 HD2 HIS A 108 -13.652 -2.569 1.673 1.00 0.00 H new ATOM 0 HE1 HIS A 108 -9.471 -2.361 2.357 1.00 0.00 H new ATOM 0 HE2 HIS A 108 -11.497 -3.898 2.296 1.00 0.00 H new ATOM 746 N LEU A 109 -10.920 1.831 -0.120 1.00 0.00 N ATOM 747 CA LEU A 109 -9.528 2.125 -0.426 1.00 0.00 C ATOM 748 C LEU A 109 -8.744 2.330 0.865 1.00 0.00 C ATOM 749 O LEU A 109 -8.494 3.461 1.283 1.00 0.00 O ATOM 750 CB LEU A 109 -9.424 3.370 -1.308 1.00 0.00 C ATOM 751 CG LEU A 109 -10.010 3.218 -2.712 1.00 0.00 C ATOM 752 CD1 LEU A 109 -10.620 4.530 -3.178 1.00 0.00 C ATOM 753 CD2 LEU A 109 -8.939 2.754 -3.689 1.00 0.00 C ATOM 0 H LEU A 109 -11.336 2.453 0.573 1.00 0.00 H new ATOM 0 HA LEU A 109 -9.105 1.280 -0.970 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -9.930 4.195 -0.807 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -8.374 3.647 -1.397 1.00 0.00 H new ATOM 0 HG LEU A 109 -10.796 2.464 -2.677 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -11.032 4.404 -4.179 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -11.414 4.826 -2.493 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -9.851 5.302 -3.197 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -9.374 2.651 -4.683 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -8.132 3.487 -3.720 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -8.543 1.792 -3.365 1.00 0.00 H new ATOM 765 N TYR A 110 -8.374 1.224 1.499 1.00 0.00 N ATOM 766 CA TYR A 110 -7.625 1.265 2.748 1.00 0.00 C ATOM 767 C TYR A 110 -6.654 0.096 2.819 1.00 0.00 C ATOM 768 O TYR A 110 -7.053 -1.042 3.063 1.00 0.00 O ATOM 769 CB TYR A 110 -8.572 1.222 3.950 1.00 0.00 C ATOM 770 CG TYR A 110 -9.441 2.452 4.094 1.00 0.00 C ATOM 771 CD1 TYR A 110 -8.991 3.567 4.791 1.00 0.00 C ATOM 772 CD2 TYR A 110 -10.712 2.496 3.536 1.00 0.00 C ATOM 773 CE1 TYR A 110 -9.784 4.691 4.927 1.00 0.00 C ATOM 774 CE2 TYR A 110 -11.510 3.616 3.667 1.00 0.00 C ATOM 775 CZ TYR A 110 -11.042 4.710 4.363 1.00 0.00 C ATOM 776 OH TYR A 110 -11.834 5.828 4.497 1.00 0.00 O ATOM 0 H TYR A 110 -8.582 0.283 1.166 1.00 0.00 H new ATOM 0 HA TYR A 110 -7.065 2.200 2.777 1.00 0.00 H new ATOM 0 HB2 TYR A 110 -9.213 0.345 3.863 1.00 0.00 H new ATOM 0 HB3 TYR A 110 -7.983 1.097 4.859 1.00 0.00 H new ATOM 0 HD1 TYR A 110 -8.006 3.555 5.233 1.00 0.00 H new ATOM 0 HD2 TYR A 110 -11.083 1.641 2.991 1.00 0.00 H new ATOM 0 HE1 TYR A 110 -9.420 5.550 5.472 1.00 0.00 H new ATOM 0 HE2 TYR A 110 -12.496 3.634 3.226 1.00 0.00 H new ATOM 0 HH TYR A 110 -12.689 5.680 4.041 1.00 0.00 H new ATOM 786 N ILE A 111 -5.380 0.382 2.594 1.00 0.00 N ATOM 787 CA ILE A 111 -4.354 -0.647 2.632 1.00 0.00 C ATOM 788 C ILE A 111 -3.968 -0.979 4.066 1.00 0.00 C ATOM 789 O ILE A 111 -4.357 -0.279 5.001 1.00 0.00 O ATOM 790 CB ILE A 111 -3.094 -0.212 1.861 1.00 0.00 C ATOM 791 CG1 ILE A 111 -2.499 1.051 2.487 1.00 0.00 C ATOM 792 CG2 ILE A 111 -3.425 0.021 0.395 1.00 0.00 C ATOM 793 CD1 ILE A 111 -1.240 1.530 1.800 1.00 0.00 C ATOM 0 H ILE A 111 -5.033 1.318 2.383 1.00 0.00 H new ATOM 0 HA ILE A 111 -4.774 -1.533 2.155 1.00 0.00 H new ATOM 0 HB ILE A 111 -2.353 -1.009 1.923 1.00 0.00 H new ATOM 0 HG12 ILE A 111 -3.244 1.846 2.459 1.00 0.00 H new ATOM 0 HG13 ILE A 111 -2.279 0.857 3.537 1.00 0.00 H new ATOM 0 HG21 ILE A 111 -2.525 0.328 -0.137 1.00 0.00 H new ATOM 0 HG22 ILE A 111 -3.808 -0.901 -0.042 1.00 0.00 H new ATOM 0 HG23 ILE A 111 -4.180 0.803 0.312 1.00 0.00 H new ATOM 0 HD11 ILE A 111 -0.874 2.429 2.297 1.00 0.00 H new ATOM 0 HD12 ILE A 111 -0.479 0.751 1.851 1.00 0.00 H new ATOM 0 HD13 ILE A 111 -1.458 1.756 0.756 1.00 0.00 H new ATOM 805 N CYS A 112 -3.205 -2.049 4.233 1.00 0.00 N ATOM 806 CA CYS A 112 -2.763 -2.467 5.555 1.00 0.00 C ATOM 807 C CYS A 112 -1.543 -1.662 5.989 1.00 0.00 C ATOM 808 O CYS A 112 -0.953 -0.935 5.190 1.00 0.00 O ATOM 809 CB CYS A 112 -2.435 -3.960 5.557 1.00 0.00 C ATOM 810 SG CYS A 112 -1.234 -4.452 4.301 1.00 0.00 S ATOM 0 H CYS A 112 -2.879 -2.643 3.470 1.00 0.00 H new ATOM 0 HA CYS A 112 -3.571 -2.283 6.263 1.00 0.00 H new ATOM 0 HB2 CYS A 112 -2.051 -4.236 6.539 1.00 0.00 H new ATOM 0 HB3 CYS A 112 -3.355 -4.524 5.405 1.00 0.00 H new ATOM 815 N ASP A 113 -1.176 -1.791 7.256 1.00 0.00 N ATOM 816 CA ASP A 113 -0.024 -1.078 7.792 1.00 0.00 C ATOM 817 C ASP A 113 1.264 -1.617 7.179 1.00 0.00 C ATOM 818 O ASP A 113 2.197 -0.864 6.894 1.00 0.00 O ATOM 819 CB ASP A 113 0.020 -1.219 9.315 1.00 0.00 C ATOM 820 CG ASP A 113 0.299 0.097 10.013 1.00 0.00 C ATOM 821 OD1 ASP A 113 -0.652 0.889 10.187 1.00 0.00 O ATOM 822 OD2 ASP A 113 1.466 0.335 10.389 1.00 0.00 O ATOM 0 H ASP A 113 -1.659 -2.383 7.932 1.00 0.00 H new ATOM 0 HA ASP A 113 -0.117 -0.022 7.537 1.00 0.00 H new ATOM 0 HB2 ASP A 113 -0.931 -1.619 9.667 1.00 0.00 H new ATOM 0 HB3 ASP A 113 0.790 -1.941 9.588 1.00 0.00 H new ATOM 827 N TYR A 114 1.297 -2.927 6.972 1.00 0.00 N ATOM 828 CA TYR A 114 2.457 -3.598 6.395 1.00 0.00 C ATOM 829 C TYR A 114 2.890 -2.937 5.087 1.00 0.00 C ATOM 830 O TYR A 114 4.009 -2.434 4.978 1.00 0.00 O ATOM 831 CB TYR A 114 2.126 -5.073 6.155 1.00 0.00 C ATOM 832 CG TYR A 114 3.257 -5.874 5.549 1.00 0.00 C ATOM 833 CD1 TYR A 114 4.394 -6.179 6.286 1.00 0.00 C ATOM 834 CD2 TYR A 114 3.180 -6.337 4.241 1.00 0.00 C ATOM 835 CE1 TYR A 114 5.422 -6.922 5.738 1.00 0.00 C ATOM 836 CE2 TYR A 114 4.204 -7.079 3.685 1.00 0.00 C ATOM 837 CZ TYR A 114 5.323 -7.368 4.436 1.00 0.00 C ATOM 838 OH TYR A 114 6.344 -8.109 3.887 1.00 0.00 O ATOM 0 H TYR A 114 0.524 -3.553 7.198 1.00 0.00 H new ATOM 0 HA TYR A 114 3.286 -3.517 7.098 1.00 0.00 H new ATOM 0 HB2 TYR A 114 1.841 -5.528 7.104 1.00 0.00 H new ATOM 0 HB3 TYR A 114 1.259 -5.136 5.498 1.00 0.00 H new ATOM 0 HD1 TYR A 114 4.476 -5.830 7.305 1.00 0.00 H new ATOM 0 HD2 TYR A 114 2.305 -6.113 3.649 1.00 0.00 H new ATOM 0 HE1 TYR A 114 6.298 -7.152 6.326 1.00 0.00 H new ATOM 0 HE2 TYR A 114 4.128 -7.431 2.667 1.00 0.00 H new ATOM 0 HH TYR A 114 6.117 -8.345 2.963 1.00 0.00 H new ATOM 848 N HIS A 115 2.000 -2.937 4.101 1.00 0.00 N ATOM 849 CA HIS A 115 2.300 -2.348 2.799 1.00 0.00 C ATOM 850 C HIS A 115 2.624 -0.860 2.914 1.00 0.00 C ATOM 851 O HIS A 115 3.549 -0.373 2.266 1.00 0.00 O ATOM 852 CB HIS A 115 1.134 -2.562 1.831 1.00 0.00 C ATOM 853 CG HIS A 115 1.177 -3.889 1.133 1.00 0.00 C ATOM 854 ND1 HIS A 115 0.040 -4.634 0.937 1.00 0.00 N ATOM 855 CD2 HIS A 115 2.236 -4.548 0.603 1.00 0.00 C ATOM 856 CE1 HIS A 115 0.428 -5.723 0.296 1.00 0.00 C ATOM 857 NE2 HIS A 115 1.751 -5.716 0.072 1.00 0.00 N ATOM 0 H HIS A 115 1.065 -3.338 4.177 1.00 0.00 H new ATOM 0 HA HIS A 115 3.183 -2.852 2.408 1.00 0.00 H new ATOM 0 HB2 HIS A 115 0.196 -2.478 2.379 1.00 0.00 H new ATOM 0 HB3 HIS A 115 1.139 -1.767 1.085 1.00 0.00 H new ATOM 0 HD2 HIS A 115 3.264 -4.217 0.599 1.00 0.00 H new ATOM 0 HE1 HIS A 115 -0.236 -6.518 -0.009 1.00 0.00 H new ATOM 0 HE2 HIS A 115 2.292 -6.440 -0.402 1.00 0.00 H new ATOM 865 N LYS A 116 1.866 -0.139 3.735 1.00 0.00 N ATOM 866 CA LYS A 116 2.100 1.292 3.912 1.00 0.00 C ATOM 867 C LYS A 116 3.556 1.560 4.272 1.00 0.00 C ATOM 868 O LYS A 116 4.236 2.351 3.618 1.00 0.00 O ATOM 869 CB LYS A 116 1.199 1.857 5.014 1.00 0.00 C ATOM 870 CG LYS A 116 1.415 3.342 5.262 1.00 0.00 C ATOM 871 CD LYS A 116 1.174 3.715 6.717 1.00 0.00 C ATOM 872 CE LYS A 116 2.241 3.128 7.629 1.00 0.00 C ATOM 873 NZ LYS A 116 3.617 3.438 7.152 1.00 0.00 N ATOM 0 H LYS A 116 1.093 -0.516 4.283 1.00 0.00 H new ATOM 0 HA LYS A 116 1.866 1.784 2.968 1.00 0.00 H new ATOM 0 HB2 LYS A 116 0.157 1.688 4.744 1.00 0.00 H new ATOM 0 HB3 LYS A 116 1.381 1.310 5.939 1.00 0.00 H new ATOM 0 HG2 LYS A 116 2.433 3.613 4.982 1.00 0.00 H new ATOM 0 HG3 LYS A 116 0.745 3.918 4.624 1.00 0.00 H new ATOM 0 HD2 LYS A 116 1.165 4.800 6.818 1.00 0.00 H new ATOM 0 HD3 LYS A 116 0.192 3.357 7.027 1.00 0.00 H new ATOM 0 HE2 LYS A 116 2.111 3.520 8.638 1.00 0.00 H new ATOM 0 HE3 LYS A 116 2.113 2.047 7.688 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 4.312 2.963 7.763 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 3.729 3.102 6.174 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 3.773 4.466 7.185 1.00 0.00 H new ATOM 887 N ASN A 117 4.024 0.886 5.315 1.00 0.00 N ATOM 888 CA ASN A 117 5.395 1.044 5.785 1.00 0.00 C ATOM 889 C ASN A 117 6.393 0.566 4.736 1.00 0.00 C ATOM 890 O ASN A 117 7.466 1.145 4.568 1.00 0.00 O ATOM 891 CB ASN A 117 5.590 0.253 7.081 1.00 0.00 C ATOM 892 CG ASN A 117 6.826 0.680 7.848 1.00 0.00 C ATOM 893 OD1 ASN A 117 7.938 0.248 7.546 1.00 0.00 O ATOM 894 ND2 ASN A 117 6.633 1.525 8.854 1.00 0.00 N ATOM 0 H ASN A 117 3.470 0.221 5.855 1.00 0.00 H new ATOM 0 HA ASN A 117 5.574 2.103 5.970 1.00 0.00 H new ATOM 0 HB2 ASN A 117 4.712 0.380 7.715 1.00 0.00 H new ATOM 0 HB3 ASN A 117 5.662 -0.809 6.846 1.00 0.00 H new ATOM 0 HD21 ASN A 117 7.425 1.842 9.413 1.00 0.00 H new ATOM 0 HD22 ASN A 117 5.693 1.857 9.068 1.00 0.00 H new ATOM 901 N LEU A 118 6.022 -0.493 4.029 1.00 0.00 N ATOM 902 CA LEU A 118 6.876 -1.079 3.002 1.00 0.00 C ATOM 903 C LEU A 118 7.153 -0.097 1.863 1.00 0.00 C ATOM 904 O LEU A 118 8.301 0.099 1.465 1.00 0.00 O ATOM 905 CB LEU A 118 6.208 -2.343 2.450 1.00 0.00 C ATOM 906 CG LEU A 118 7.135 -3.323 1.724 1.00 0.00 C ATOM 907 CD1 LEU A 118 6.431 -4.653 1.507 1.00 0.00 C ATOM 908 CD2 LEU A 118 7.595 -2.744 0.395 1.00 0.00 C ATOM 0 H LEU A 118 5.127 -0.968 4.149 1.00 0.00 H new ATOM 0 HA LEU A 118 7.834 -1.329 3.459 1.00 0.00 H new ATOM 0 HB2 LEU A 118 5.729 -2.869 3.276 1.00 0.00 H new ATOM 0 HB3 LEU A 118 5.417 -2.043 1.763 1.00 0.00 H new ATOM 0 HG LEU A 118 8.014 -3.490 2.347 1.00 0.00 H new ATOM 0 HD11 LEU A 118 7.102 -5.340 0.990 1.00 0.00 H new ATOM 0 HD12 LEU A 118 6.150 -5.077 2.471 1.00 0.00 H new ATOM 0 HD13 LEU A 118 5.536 -4.497 0.904 1.00 0.00 H new ATOM 0 HD21 LEU A 118 8.252 -3.456 -0.104 1.00 0.00 H new ATOM 0 HD22 LEU A 118 6.728 -2.547 -0.236 1.00 0.00 H new ATOM 0 HD23 LEU A 118 8.135 -1.814 0.571 1.00 0.00 H new ATOM 920 N ILE A 119 6.099 0.533 1.360 1.00 0.00 N ATOM 921 CA ILE A 119 6.214 1.461 0.237 1.00 0.00 C ATOM 922 C ILE A 119 6.694 2.855 0.647 1.00 0.00 C ATOM 923 O ILE A 119 7.500 3.468 -0.052 1.00 0.00 O ATOM 924 CB ILE A 119 4.860 1.596 -0.482 1.00 0.00 C ATOM 925 CG1 ILE A 119 4.352 0.212 -0.884 1.00 0.00 C ATOM 926 CG2 ILE A 119 4.984 2.503 -1.697 1.00 0.00 C ATOM 927 CD1 ILE A 119 2.901 0.197 -1.314 1.00 0.00 C ATOM 0 H ILE A 119 5.149 0.419 1.713 1.00 0.00 H new ATOM 0 HA ILE A 119 6.967 1.037 -0.427 1.00 0.00 H new ATOM 0 HB ILE A 119 4.140 2.051 0.199 1.00 0.00 H new ATOM 0 HG12 ILE A 119 4.967 -0.168 -1.700 1.00 0.00 H new ATOM 0 HG13 ILE A 119 4.480 -0.470 -0.044 1.00 0.00 H new ATOM 0 HG21 ILE A 119 4.016 2.585 -2.190 1.00 0.00 H new ATOM 0 HG22 ILE A 119 5.314 3.492 -1.380 1.00 0.00 H new ATOM 0 HG23 ILE A 119 5.711 2.083 -2.392 1.00 0.00 H new ATOM 0 HD11 ILE A 119 2.612 -0.819 -1.584 1.00 0.00 H new ATOM 0 HD12 ILE A 119 2.275 0.546 -0.493 1.00 0.00 H new ATOM 0 HD13 ILE A 119 2.770 0.853 -2.175 1.00 0.00 H new ATOM 939 N GLN A 120 6.204 3.349 1.775 1.00 0.00 N ATOM 940 CA GLN A 120 6.559 4.689 2.241 1.00 0.00 C ATOM 941 C GLN A 120 8.031 4.834 2.629 1.00 0.00 C ATOM 942 O GLN A 120 8.650 5.858 2.339 1.00 0.00 O ATOM 943 CB GLN A 120 5.694 5.077 3.442 1.00 0.00 C ATOM 944 CG GLN A 120 4.385 5.733 3.063 1.00 0.00 C ATOM 945 CD GLN A 120 3.850 6.642 4.153 1.00 0.00 C ATOM 946 OE1 GLN A 120 3.243 7.674 3.868 1.00 0.00 O ATOM 947 NE2 GLN A 120 4.073 6.266 5.408 1.00 0.00 N ATOM 0 H GLN A 120 5.560 2.846 2.386 1.00 0.00 H new ATOM 0 HA GLN A 120 6.378 5.355 1.397 1.00 0.00 H new ATOM 0 HB2 GLN A 120 5.485 4.184 4.032 1.00 0.00 H new ATOM 0 HB3 GLN A 120 6.259 5.756 4.081 1.00 0.00 H new ATOM 0 HG2 GLN A 120 4.524 6.311 2.149 1.00 0.00 H new ATOM 0 HG3 GLN A 120 3.647 4.962 2.844 1.00 0.00 H new ATOM 0 HE21 GLN A 120 4.581 5.402 5.599 1.00 0.00 H new ATOM 0 HE22 GLN A 120 3.736 6.841 6.180 1.00 0.00 H new ATOM 956 N SER A 121 8.598 3.812 3.260 1.00 0.00 N ATOM 957 CA SER A 121 9.982 3.889 3.743 1.00 0.00 C ATOM 958 C SER A 121 11.040 3.783 2.639 1.00 0.00 C ATOM 959 O SER A 121 12.231 3.700 2.938 1.00 0.00 O ATOM 960 CB SER A 121 10.233 2.816 4.802 1.00 0.00 C ATOM 961 OG SER A 121 10.415 1.544 4.210 1.00 0.00 O ATOM 0 H SER A 121 8.130 2.926 3.450 1.00 0.00 H new ATOM 0 HA SER A 121 10.089 4.885 4.174 1.00 0.00 H new ATOM 0 HB2 SER A 121 11.115 3.078 5.386 1.00 0.00 H new ATOM 0 HB3 SER A 121 9.392 2.781 5.494 1.00 0.00 H new ATOM 0 HG SER A 121 9.554 1.079 4.163 1.00 0.00 H new ATOM 967 N VAL A 122 10.630 3.784 1.375 1.00 0.00 N ATOM 968 CA VAL A 122 11.594 3.711 0.280 1.00 0.00 C ATOM 969 C VAL A 122 11.564 4.991 -0.551 1.00 0.00 C ATOM 970 O VAL A 122 10.504 5.581 -0.755 1.00 0.00 O ATOM 971 CB VAL A 122 11.343 2.496 -0.632 1.00 0.00 C ATOM 972 CG1 VAL A 122 12.378 2.446 -1.746 1.00 0.00 C ATOM 973 CG2 VAL A 122 11.363 1.209 0.178 1.00 0.00 C ATOM 0 H VAL A 122 9.653 3.834 1.085 1.00 0.00 H new ATOM 0 HA VAL A 122 12.579 3.595 0.732 1.00 0.00 H new ATOM 0 HB VAL A 122 10.357 2.600 -1.084 1.00 0.00 H new ATOM 0 HG11 VAL A 122 12.187 1.582 -2.382 1.00 0.00 H new ATOM 0 HG12 VAL A 122 12.315 3.356 -2.342 1.00 0.00 H new ATOM 0 HG13 VAL A 122 13.375 2.364 -1.313 1.00 0.00 H new ATOM 0 HG21 VAL A 122 11.184 0.361 -0.482 1.00 0.00 H new ATOM 0 HG22 VAL A 122 12.335 1.096 0.658 1.00 0.00 H new ATOM 0 HG23 VAL A 122 10.584 1.246 0.940 1.00 0.00 H new ATOM 983 N ARG A 123 12.732 5.416 -1.037 1.00 0.00 N ATOM 984 CA ARG A 123 12.836 6.636 -1.821 1.00 0.00 C ATOM 985 C ARG A 123 12.089 7.790 -1.156 1.00 0.00 C ATOM 986 O ARG A 123 11.656 8.732 -1.821 1.00 0.00 O ATOM 987 CB ARG A 123 12.290 6.376 -3.212 1.00 0.00 C ATOM 988 CG ARG A 123 13.274 5.661 -4.118 1.00 0.00 C ATOM 989 CD ARG A 123 12.747 5.564 -5.543 1.00 0.00 C ATOM 990 NE ARG A 123 13.647 6.179 -6.516 1.00 0.00 N ATOM 991 CZ ARG A 123 13.629 7.473 -6.826 1.00 0.00 C ATOM 992 NH1 ARG A 123 12.802 8.299 -6.199 1.00 0.00 N ATOM 993 NH2 ARG A 123 14.445 7.944 -7.759 1.00 0.00 N ATOM 0 H ARG A 123 13.617 4.928 -0.898 1.00 0.00 H new ATOM 0 HA ARG A 123 13.885 6.926 -1.887 1.00 0.00 H new ATOM 0 HB2 ARG A 123 11.381 5.780 -3.132 1.00 0.00 H new ATOM 0 HB3 ARG A 123 12.010 7.325 -3.668 1.00 0.00 H new ATOM 0 HG2 ARG A 123 14.226 6.193 -4.116 1.00 0.00 H new ATOM 0 HG3 ARG A 123 13.467 4.661 -3.731 1.00 0.00 H new ATOM 0 HD2 ARG A 123 12.599 4.515 -5.802 1.00 0.00 H new ATOM 0 HD3 ARG A 123 11.771 6.047 -5.600 1.00 0.00 H new ATOM 0 HE ARG A 123 14.328 5.582 -6.985 1.00 0.00 H new ATOM 0 HH11 ARG A 123 12.177 7.943 -5.476 1.00 0.00 H new ATOM 0 HH12 ARG A 123 12.791 9.290 -6.440 1.00 0.00 H new ATOM 0 HH21 ARG A 123 15.087 7.314 -8.240 1.00 0.00 H new ATOM 0 HH22 ARG A 123 14.430 8.936 -7.996 1.00 0.00 H new ATOM 1007 N ASN A 124 11.950 7.708 0.164 1.00 0.00 N ATOM 1008 CA ASN A 124 11.255 8.736 0.931 1.00 0.00 C ATOM 1009 C ASN A 124 11.693 8.715 2.395 1.00 0.00 C ATOM 1010 O ASN A 124 11.000 9.246 3.262 1.00 0.00 O ATOM 1011 CB ASN A 124 9.744 8.509 0.847 1.00 0.00 C ATOM 1012 CG ASN A 124 8.993 9.727 0.347 1.00 0.00 C ATOM 1013 OD1 ASN A 124 9.512 10.503 -0.456 1.00 0.00 O ATOM 1014 ND2 ASN A 124 7.764 9.898 0.818 1.00 0.00 N ATOM 0 H ASN A 124 12.311 6.937 0.726 1.00 0.00 H new ATOM 0 HA ASN A 124 11.507 9.708 0.508 1.00 0.00 H new ATOM 0 HB2 ASN A 124 9.544 7.667 0.184 1.00 0.00 H new ATOM 0 HB3 ASN A 124 9.367 8.235 1.832 1.00 0.00 H new ATOM 0 HD21 ASN A 124 7.209 10.698 0.516 1.00 0.00 H new ATOM 0 HD22 ASN A 124 7.375 9.229 1.482 1.00 0.00 H new ATOM 1021 N ARG A 125 12.854 8.121 2.667 1.00 0.00 N ATOM 1022 CA ARG A 125 13.354 8.020 4.032 1.00 0.00 C ATOM 1023 C ARG A 125 14.305 9.169 4.357 1.00 0.00 C ATOM 1024 O ARG A 125 15.168 9.047 5.227 1.00 0.00 O ATOM 1025 CB ARG A 125 14.053 6.674 4.240 1.00 0.00 C ATOM 1026 CG ARG A 125 14.118 6.246 5.697 1.00 0.00 C ATOM 1027 CD ARG A 125 14.750 4.873 5.853 1.00 0.00 C ATOM 1028 NE ARG A 125 14.916 4.509 7.258 1.00 0.00 N ATOM 1029 CZ ARG A 125 13.942 4.005 8.010 1.00 0.00 C ATOM 1030 NH1 ARG A 125 12.740 3.790 7.491 1.00 0.00 N ATOM 1031 NH2 ARG A 125 14.169 3.713 9.284 1.00 0.00 N ATOM 0 H ARG A 125 13.462 7.705 1.962 1.00 0.00 H new ATOM 0 HA ARG A 125 12.504 8.086 4.711 1.00 0.00 H new ATOM 0 HB2 ARG A 125 13.529 5.909 3.667 1.00 0.00 H new ATOM 0 HB3 ARG A 125 15.066 6.733 3.841 1.00 0.00 H new ATOM 0 HG2 ARG A 125 14.692 6.977 6.266 1.00 0.00 H new ATOM 0 HG3 ARG A 125 13.112 6.233 6.118 1.00 0.00 H new ATOM 0 HD2 ARG A 125 14.129 4.128 5.355 1.00 0.00 H new ATOM 0 HD3 ARG A 125 15.721 4.861 5.357 1.00 0.00 H new ATOM 0 HE ARG A 125 15.831 4.649 7.686 1.00 0.00 H new ATOM 0 HH11 ARG A 125 12.560 4.011 6.512 1.00 0.00 H new ATOM 0 HH12 ARG A 125 11.996 3.403 8.071 1.00 0.00 H new ATOM 0 HH21 ARG A 125 15.092 3.875 9.688 1.00 0.00 H new ATOM 0 HH22 ARG A 125 13.421 3.326 9.860 1.00 0.00 H new ATOM 1045 N ARG A 126 14.136 10.284 3.653 1.00 0.00 N ATOM 1046 CA ARG A 126 14.964 11.467 3.867 1.00 0.00 C ATOM 1047 C ARG A 126 16.441 11.163 3.591 1.00 0.00 C ATOM 1048 O ARG A 126 16.954 11.480 2.519 1.00 0.00 O ATOM 1049 CB ARG A 126 14.761 11.994 5.295 1.00 0.00 C ATOM 1050 CG ARG A 126 14.842 13.506 5.411 1.00 0.00 C ATOM 1051 CD ARG A 126 14.527 13.969 6.826 1.00 0.00 C ATOM 1052 NE ARG A 126 15.518 13.499 7.791 1.00 0.00 N ATOM 1053 CZ ARG A 126 15.309 13.453 9.103 1.00 0.00 C ATOM 1054 NH1 ARG A 126 14.142 13.835 9.605 1.00 0.00 N ATOM 1055 NH2 ARG A 126 16.265 13.022 9.915 1.00 0.00 N ATOM 0 H ARG A 126 13.429 10.393 2.926 1.00 0.00 H new ATOM 0 HA ARG A 126 14.657 12.242 3.165 1.00 0.00 H new ATOM 0 HB2 ARG A 126 13.788 11.663 5.659 1.00 0.00 H new ATOM 0 HB3 ARG A 126 15.513 11.549 5.946 1.00 0.00 H new ATOM 0 HG2 ARG A 126 15.840 13.842 5.130 1.00 0.00 H new ATOM 0 HG3 ARG A 126 14.143 13.965 4.712 1.00 0.00 H new ATOM 0 HD2 ARG A 126 14.486 15.058 6.850 1.00 0.00 H new ATOM 0 HD3 ARG A 126 13.540 13.607 7.114 1.00 0.00 H new ATOM 0 HE ARG A 126 16.423 13.188 7.438 1.00 0.00 H new ATOM 0 HH11 ARG A 126 13.403 14.165 8.984 1.00 0.00 H new ATOM 0 HH12 ARG A 126 13.984 13.799 10.612 1.00 0.00 H new ATOM 0 HH21 ARG A 126 17.163 12.725 9.533 1.00 0.00 H new ATOM 0 HH22 ARG A 126 16.102 12.988 10.921 1.00 0.00 H new ATOM 1069 N LYS A 127 17.111 10.528 4.550 1.00 0.00 N ATOM 1070 CA LYS A 127 18.521 10.178 4.410 1.00 0.00 C ATOM 1071 C LYS A 127 19.415 11.389 4.152 1.00 0.00 C ATOM 1072 O LYS A 127 19.758 11.691 3.008 1.00 0.00 O ATOM 1073 CB LYS A 127 18.708 9.159 3.291 1.00 0.00 C ATOM 1074 CG LYS A 127 18.244 7.762 3.662 1.00 0.00 C ATOM 1075 CD LYS A 127 18.650 6.742 2.611 1.00 0.00 C ATOM 1076 CE LYS A 127 20.151 6.756 2.370 1.00 0.00 C ATOM 1077 NZ LYS A 127 20.922 6.606 3.636 1.00 0.00 N ATOM 0 H LYS A 127 16.696 10.244 5.438 1.00 0.00 H new ATOM 0 HA LYS A 127 18.826 9.747 5.364 1.00 0.00 H new ATOM 0 HB2 LYS A 127 18.160 9.494 2.410 1.00 0.00 H new ATOM 0 HB3 LYS A 127 19.762 9.122 3.016 1.00 0.00 H new ATOM 0 HG2 LYS A 127 18.668 7.481 4.626 1.00 0.00 H new ATOM 0 HG3 LYS A 127 17.160 7.756 3.777 1.00 0.00 H new ATOM 0 HD2 LYS A 127 18.341 5.747 2.930 1.00 0.00 H new ATOM 0 HD3 LYS A 127 18.129 6.953 1.677 1.00 0.00 H new ATOM 0 HE2 LYS A 127 20.416 5.949 1.687 1.00 0.00 H new ATOM 0 HE3 LYS A 127 20.431 7.690 1.884 1.00 0.00 H new ATOM 0 HZ1 LYS A 127 21.920 6.417 3.414 1.00 0.00 H new ATOM 0 HZ2 LYS A 127 20.851 7.482 4.192 1.00 0.00 H new ATOM 0 HZ3 LYS A 127 20.534 5.814 4.187 1.00 0.00 H new ATOM 1091 N ARG A 128 19.788 12.077 5.223 1.00 0.00 N ATOM 1092 CA ARG A 128 20.680 13.223 5.125 1.00 0.00 C ATOM 1093 C ARG A 128 21.932 12.950 5.958 1.00 0.00 C ATOM 1094 O ARG A 128 22.151 11.816 6.384 1.00 0.00 O ATOM 1095 CB ARG A 128 19.974 14.514 5.568 1.00 0.00 C ATOM 1096 CG ARG A 128 18.892 14.304 6.611 1.00 0.00 C ATOM 1097 CD ARG A 128 19.483 13.909 7.949 1.00 0.00 C ATOM 1098 NE ARG A 128 18.662 14.378 9.061 1.00 0.00 N ATOM 1099 CZ ARG A 128 19.137 14.617 10.279 1.00 0.00 C ATOM 1100 NH1 ARG A 128 20.416 14.397 10.554 1.00 0.00 N ATOM 1101 NH2 ARG A 128 18.329 15.071 11.227 1.00 0.00 N ATOM 0 H ARG A 128 19.485 11.860 6.172 1.00 0.00 H new ATOM 0 HA ARG A 128 20.972 13.368 4.085 1.00 0.00 H new ATOM 0 HB2 ARG A 128 20.718 15.204 5.966 1.00 0.00 H new ATOM 0 HB3 ARG A 128 19.532 14.992 4.694 1.00 0.00 H new ATOM 0 HG2 ARG A 128 18.311 15.219 6.724 1.00 0.00 H new ATOM 0 HG3 ARG A 128 18.204 13.529 6.273 1.00 0.00 H new ATOM 0 HD2 ARG A 128 19.578 12.824 7.999 1.00 0.00 H new ATOM 0 HD3 ARG A 128 20.488 14.322 8.039 1.00 0.00 H new ATOM 0 HE ARG A 128 17.667 14.531 8.894 1.00 0.00 H new ATOM 0 HH11 ARG A 128 21.040 14.043 9.829 1.00 0.00 H new ATOM 0 HH12 ARG A 128 20.775 14.582 11.490 1.00 0.00 H new ATOM 0 HH21 ARG A 128 17.344 15.237 11.021 1.00 0.00 H new ATOM 0 HH22 ARG A 128 18.693 15.255 12.162 1.00 0.00 H new ATOM 1115 N LYS A 129 22.759 13.962 6.178 1.00 0.00 N ATOM 1116 CA LYS A 129 23.983 13.778 6.951 1.00 0.00 C ATOM 1117 C LYS A 129 23.775 14.116 8.424 1.00 0.00 C ATOM 1118 O LYS A 129 22.695 14.541 8.836 1.00 0.00 O ATOM 1119 CB LYS A 129 25.100 14.657 6.390 1.00 0.00 C ATOM 1120 CG LYS A 129 25.131 14.731 4.872 1.00 0.00 C ATOM 1121 CD LYS A 129 26.047 13.678 4.279 1.00 0.00 C ATOM 1122 CE LYS A 129 26.706 14.178 3.005 1.00 0.00 C ATOM 1123 NZ LYS A 129 27.952 13.427 2.694 1.00 0.00 N ATOM 0 H LYS A 129 22.609 14.911 5.837 1.00 0.00 H new ATOM 0 HA LYS A 129 24.261 12.727 6.873 1.00 0.00 H new ATOM 0 HB2 LYS A 129 24.989 15.665 6.790 1.00 0.00 H new ATOM 0 HB3 LYS A 129 26.058 14.277 6.744 1.00 0.00 H new ATOM 0 HG2 LYS A 129 24.122 14.599 4.480 1.00 0.00 H new ATOM 0 HG3 LYS A 129 25.466 15.721 4.562 1.00 0.00 H new ATOM 0 HD2 LYS A 129 26.813 13.407 5.006 1.00 0.00 H new ATOM 0 HD3 LYS A 129 25.476 12.774 4.066 1.00 0.00 H new ATOM 0 HE2 LYS A 129 26.008 14.083 2.174 1.00 0.00 H new ATOM 0 HE3 LYS A 129 26.937 15.238 3.108 1.00 0.00 H new ATOM 0 HZ1 LYS A 129 28.371 13.798 1.818 1.00 0.00 H new ATOM 0 HZ2 LYS A 129 28.629 13.538 3.476 1.00 0.00 H new ATOM 0 HZ3 LYS A 129 27.728 12.419 2.571 1.00 0.00 H new ATOM 1137 N GLY A 130 24.829 13.920 9.210 1.00 0.00 N ATOM 1138 CA GLY A 130 24.776 14.221 10.626 1.00 0.00 C ATOM 1139 C GLY A 130 25.769 15.302 11.000 1.00 0.00 C ATOM 1140 O GLY A 130 26.392 15.250 12.061 1.00 0.00 O ATOM 0 H GLY A 130 25.725 13.555 8.887 1.00 0.00 H new ATOM 0 HA2 GLY A 130 23.769 14.542 10.894 1.00 0.00 H new ATOM 0 HA3 GLY A 130 24.986 13.318 11.199 1.00 0.00 H new ATOM 1144 N SER A 131 25.921 16.282 10.113 1.00 0.00 N ATOM 1145 CA SER A 131 26.846 17.387 10.335 1.00 0.00 C ATOM 1146 C SER A 131 26.094 18.645 10.757 1.00 0.00 C ATOM 1147 O SER A 131 25.780 19.470 9.872 1.00 0.00 O ATOM 1148 CB SER A 131 27.649 17.664 9.063 1.00 0.00 C ATOM 1149 OG SER A 131 27.634 16.545 8.194 1.00 0.00 O ATOM 1150 OXT SER A 131 25.822 18.795 11.966 1.00 0.00 O ATOM 0 H SER A 131 25.412 16.332 9.230 1.00 0.00 H new ATOM 0 HA SER A 131 27.529 17.106 11.137 1.00 0.00 H new ATOM 0 HB2 SER A 131 27.235 18.532 8.550 1.00 0.00 H new ATOM 0 HB3 SER A 131 28.678 17.910 9.326 1.00 0.00 H new ATOM 0 HG SER A 131 28.153 16.750 7.388 1.00 0.00 H new TER 1156 SER A 131 HETATM 1157 ZN ZN A 1 -1.293 -5.390 2.194 1.00 0.00 ZN