USER MOD reduce.3.24.130724 H: found=0, std=0, add=470, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 467 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 67 CYS SG : rot -150:sc= 0.891 USER MOD Set 1.2: A 76 CYS SG : rot -177:sc= 0.83 USER MOD Set 1.3: A 112 CYS SG : rot -72:sc= 1.04 USER MOD Set 1.4: A 115 HIS : no HE2:sc= 0.131 K(o=2.9,f=0.4) USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 68 CYS SG : rot -82:sc= 0.169 USER MOD Single : A 82 ASN : amide:sc= -0.296 X(o=-0.3,f=-0.68) USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot 160:sc= 0.258 USER MOD Single : A 87 LYS NZ :NH3+ -154:sc= -0.0328 (180deg=-0.391) USER MOD Single : A 90 GLN : amide:sc= -1.41 X(o=-1.4,f=-1) USER MOD Single : A 91 LYS NZ :NH3+ -149:sc= -0.0757 (180deg=-0.588) USER MOD Single : A 92 SER OG : rot 140:sc= 0.00773 USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 95 GLN : amide:sc= -0.988 K(o=-0.99,f=-0.26) USER MOD Single : A 96 LYS NZ :NH3+ -156:sc= -0.0185 (180deg=-0.252) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 LYS NZ :NH3+ -152:sc= -0.466 (180deg=-1.21!) USER MOD Single : A 104 LYS NZ :NH3+ 153:sc= -0.0966 (180deg=-0.508) USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD Single : A 108 HIS : no HD1:sc= -0.643 K(o=-0.64,f=-1.8) 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 116 LYS NZ :NH3+ 154:sc= -0.262 (180deg=-0.726) USER MOD Single : A 117 ASN : amide:sc= -0.0266 X(o=-0.027,f=0) USER MOD Single : A 120 GLN : amide:sc= -1.19 K(o=-1.2,f=-0.22) USER MOD Single : A 121 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 45 N GLN A 65 -11.274 -5.333 8.239 1.00 0.00 N ATOM 46 CA GLN A 65 -11.182 -5.517 6.799 1.00 0.00 C ATOM 47 C GLN A 65 -9.807 -6.048 6.416 1.00 0.00 C ATOM 48 O GLN A 65 -8.936 -6.213 7.269 1.00 0.00 O ATOM 49 CB GLN A 65 -11.448 -4.192 6.082 1.00 0.00 C ATOM 50 CG GLN A 65 -12.695 -3.479 6.579 1.00 0.00 C ATOM 51 CD GLN A 65 -12.779 -2.044 6.099 1.00 0.00 C ATOM 52 OE1 GLN A 65 -12.184 -1.146 6.695 1.00 0.00 O ATOM 53 NE2 GLN A 65 -13.531 -1.817 5.030 1.00 0.00 N ATOM 0 HA GLN A 65 -11.934 -6.245 6.494 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -10.587 -3.537 6.213 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -11.547 -4.379 5.013 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -13.578 -4.023 6.242 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -12.707 -3.495 7.669 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -14.006 -2.592 4.567 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -13.634 -0.868 4.671 1.00 0.00 H new ATOM 62 N LEU A 66 -9.620 -6.314 5.130 1.00 0.00 N ATOM 63 CA LEU A 66 -8.349 -6.826 4.639 1.00 0.00 C ATOM 64 C LEU A 66 -7.696 -5.839 3.679 1.00 0.00 C ATOM 65 O LEU A 66 -8.286 -4.820 3.316 1.00 0.00 O ATOM 66 CB LEU A 66 -8.549 -8.173 3.942 1.00 0.00 C ATOM 67 CG LEU A 66 -8.973 -9.322 4.858 1.00 0.00 C ATOM 68 CD1 LEU A 66 -9.158 -10.601 4.056 1.00 0.00 C ATOM 69 CD2 LEU A 66 -7.949 -9.527 5.963 1.00 0.00 C ATOM 0 H LEU A 66 -10.331 -6.184 4.410 1.00 0.00 H new ATOM 0 HA LEU A 66 -7.690 -6.962 5.496 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -9.302 -8.053 3.163 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -7.619 -8.449 3.446 1.00 0.00 H new ATOM 0 HG LEU A 66 -9.927 -9.064 5.318 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -9.460 -11.408 4.723 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -9.928 -10.448 3.300 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -8.219 -10.864 3.569 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -8.266 -10.348 6.605 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -6.981 -9.764 5.522 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -7.865 -8.615 6.555 1.00 0.00 H new ATOM 81 N CYS A 67 -6.471 -6.155 3.275 1.00 0.00 N ATOM 82 CA CYS A 67 -5.717 -5.317 2.350 1.00 0.00 C ATOM 83 C CYS A 67 -6.269 -5.454 0.931 1.00 0.00 C ATOM 84 O CYS A 67 -6.701 -6.535 0.531 1.00 0.00 O ATOM 85 CB CYS A 67 -4.239 -5.714 2.393 1.00 0.00 C ATOM 86 SG CYS A 67 -3.216 -4.944 1.122 1.00 0.00 S ATOM 0 H CYS A 67 -5.975 -6.994 3.577 1.00 0.00 H new ATOM 0 HA CYS A 67 -5.816 -4.274 2.650 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -3.835 -5.455 3.372 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -4.164 -6.797 2.294 1.00 0.00 H new ATOM 0 HG CYS A 67 -2.233 -5.738 0.817 1.00 0.00 H new ATOM 91 N CYS A 68 -6.255 -4.359 0.171 1.00 0.00 N ATOM 92 CA CYS A 68 -6.775 -4.377 -1.196 1.00 0.00 C ATOM 93 C CYS A 68 -5.656 -4.300 -2.234 1.00 0.00 C ATOM 94 O CYS A 68 -5.807 -3.657 -3.273 1.00 0.00 O ATOM 95 CB CYS A 68 -7.763 -3.229 -1.410 1.00 0.00 C ATOM 96 SG CYS A 68 -7.026 -1.584 -1.298 1.00 0.00 S ATOM 0 H CYS A 68 -5.892 -3.455 0.475 1.00 0.00 H new ATOM 0 HA CYS A 68 -7.291 -5.327 -1.331 1.00 0.00 H new ATOM 0 HB2 CYS A 68 -8.225 -3.341 -2.391 1.00 0.00 H new ATOM 0 HB3 CYS A 68 -8.560 -3.308 -0.671 1.00 0.00 H new ATOM 0 HG CYS A 68 -6.935 -1.233 -0.050 1.00 0.00 H new ATOM 102 N LEU A 69 -4.538 -4.956 -1.949 1.00 0.00 N ATOM 103 CA LEU A 69 -3.407 -4.985 -2.869 1.00 0.00 C ATOM 104 C LEU A 69 -3.013 -6.429 -3.155 1.00 0.00 C ATOM 105 O LEU A 69 -3.280 -7.321 -2.350 1.00 0.00 O ATOM 106 CB LEU A 69 -2.211 -4.226 -2.289 1.00 0.00 C ATOM 107 CG LEU A 69 -2.516 -2.815 -1.789 1.00 0.00 C ATOM 108 CD1 LEU A 69 -1.257 -2.164 -1.239 1.00 0.00 C ATOM 109 CD2 LEU A 69 -3.109 -1.966 -2.905 1.00 0.00 C ATOM 0 H LEU A 69 -4.390 -5.477 -1.085 1.00 0.00 H new ATOM 0 HA LEU A 69 -3.705 -4.498 -3.797 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -1.799 -4.806 -1.463 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -1.436 -4.164 -3.053 1.00 0.00 H new ATOM 0 HG LEU A 69 -3.250 -2.887 -0.986 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -1.491 -1.159 -0.887 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -0.872 -2.759 -0.410 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -0.504 -2.107 -2.025 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -3.319 -0.965 -2.528 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -2.399 -1.902 -3.730 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -4.034 -2.423 -3.257 1.00 0.00 H new ATOM 121 N ARG A 70 -2.380 -6.659 -4.300 1.00 0.00 N ATOM 122 CA ARG A 70 -1.963 -8.005 -4.673 1.00 0.00 C ATOM 123 C ARG A 70 -0.474 -8.054 -4.985 1.00 0.00 C ATOM 124 O ARG A 70 0.007 -7.361 -5.881 1.00 0.00 O ATOM 125 CB ARG A 70 -2.766 -8.496 -5.881 1.00 0.00 C ATOM 126 CG ARG A 70 -4.266 -8.346 -5.704 1.00 0.00 C ATOM 127 CD ARG A 70 -5.046 -9.005 -6.833 1.00 0.00 C ATOM 128 NE ARG A 70 -5.185 -10.451 -6.639 1.00 0.00 N ATOM 129 CZ ARG A 70 -6.257 -11.159 -7.008 1.00 0.00 C ATOM 130 NH1 ARG A 70 -7.287 -10.573 -7.610 1.00 0.00 N ATOM 131 NH2 ARG A 70 -6.295 -12.465 -6.779 1.00 0.00 N ATOM 0 H ARG A 70 -2.146 -5.937 -4.981 1.00 0.00 H new ATOM 0 HA ARG A 70 -2.156 -8.661 -3.824 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -2.454 -7.941 -6.766 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -2.531 -9.545 -6.063 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -4.564 -8.787 -4.753 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -4.521 -7.287 -5.658 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -6.035 -8.553 -6.901 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -4.542 -8.814 -7.780 1.00 0.00 H new ATOM 0 HE ARG A 70 -4.414 -10.949 -6.194 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -7.266 -9.570 -7.796 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -8.098 -11.126 -7.886 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -5.508 -12.926 -6.323 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -7.111 -13.008 -7.059 1.00 0.00 H new ATOM 145 N GLU A 71 0.253 -8.871 -4.232 1.00 0.00 N ATOM 146 CA GLU A 71 1.686 -9.027 -4.436 1.00 0.00 C ATOM 147 C GLU A 71 1.968 -10.319 -5.192 1.00 0.00 C ATOM 148 O GLU A 71 1.800 -11.413 -4.651 1.00 0.00 O ATOM 149 CB GLU A 71 2.423 -9.029 -3.097 1.00 0.00 C ATOM 150 CG GLU A 71 3.924 -9.221 -3.232 1.00 0.00 C ATOM 151 CD GLU A 71 4.621 -9.326 -1.892 1.00 0.00 C ATOM 152 OE1 GLU A 71 4.483 -8.390 -1.076 1.00 0.00 O ATOM 153 OE2 GLU A 71 5.309 -10.342 -1.658 1.00 0.00 O ATOM 0 H GLU A 71 -0.128 -9.436 -3.473 1.00 0.00 H new ATOM 0 HA GLU A 71 2.046 -8.184 -5.026 1.00 0.00 H new ATOM 0 HB2 GLU A 71 2.230 -8.087 -2.584 1.00 0.00 H new ATOM 0 HB3 GLU A 71 2.018 -9.823 -2.470 1.00 0.00 H new ATOM 0 HG2 GLU A 71 4.120 -10.123 -3.811 1.00 0.00 H new ATOM 0 HG3 GLU A 71 4.344 -8.385 -3.791 1.00 0.00 H new ATOM 160 N ASP A 72 2.391 -10.187 -6.445 1.00 0.00 N ATOM 161 CA ASP A 72 2.680 -11.346 -7.281 1.00 0.00 C ATOM 162 C ASP A 72 1.479 -12.285 -7.331 1.00 0.00 C ATOM 163 O ASP A 72 1.631 -13.498 -7.476 1.00 0.00 O ATOM 164 CB ASP A 72 3.913 -12.090 -6.770 1.00 0.00 C ATOM 165 CG ASP A 72 5.200 -11.546 -7.363 1.00 0.00 C ATOM 166 OD1 ASP A 72 5.785 -10.620 -6.764 1.00 0.00 O ATOM 167 OD2 ASP A 72 5.619 -12.044 -8.429 1.00 0.00 O ATOM 0 H ASP A 72 2.541 -9.288 -6.904 1.00 0.00 H new ATOM 0 HA ASP A 72 2.886 -10.991 -8.291 1.00 0.00 H new ATOM 0 HB2 ASP A 72 3.956 -12.015 -5.683 1.00 0.00 H new ATOM 0 HB3 ASP A 72 3.823 -13.149 -7.013 1.00 0.00 H new ATOM 172 N GLY A 73 0.285 -11.711 -7.212 1.00 0.00 N ATOM 173 CA GLY A 73 -0.930 -12.505 -7.252 1.00 0.00 C ATOM 174 C GLY A 73 -1.448 -12.876 -5.875 1.00 0.00 C ATOM 175 O GLY A 73 -2.557 -13.396 -5.747 1.00 0.00 O ATOM 0 H GLY A 73 0.137 -10.709 -7.088 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -1.701 -11.950 -7.786 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -0.742 -13.416 -7.820 1.00 0.00 H new ATOM 179 N GLU A 74 -0.656 -12.609 -4.838 1.00 0.00 N ATOM 180 CA GLU A 74 -1.055 -12.935 -3.473 1.00 0.00 C ATOM 181 C GLU A 74 -1.910 -11.825 -2.865 1.00 0.00 C ATOM 182 O GLU A 74 -1.501 -10.664 -2.825 1.00 0.00 O ATOM 183 CB GLU A 74 0.177 -13.185 -2.605 1.00 0.00 C ATOM 184 CG GLU A 74 0.205 -14.575 -1.995 1.00 0.00 C ATOM 185 CD GLU A 74 -1.075 -14.905 -1.253 1.00 0.00 C ATOM 186 OE1 GLU A 74 -2.065 -15.278 -1.916 1.00 0.00 O ATOM 187 OE2 GLU A 74 -1.088 -14.787 -0.010 1.00 0.00 O ATOM 0 H GLU A 74 0.261 -12.170 -4.918 1.00 0.00 H new ATOM 0 HA GLU A 74 -1.656 -13.844 -3.508 1.00 0.00 H new ATOM 0 HB2 GLU A 74 1.074 -13.041 -3.208 1.00 0.00 H new ATOM 0 HB3 GLU A 74 0.208 -12.444 -1.806 1.00 0.00 H new ATOM 0 HG2 GLU A 74 0.366 -15.311 -2.782 1.00 0.00 H new ATOM 0 HG3 GLU A 74 1.049 -14.651 -1.310 1.00 0.00 H new ATOM 194 N ARG A 75 -3.095 -12.198 -2.381 1.00 0.00 N ATOM 195 CA ARG A 75 -4.016 -11.235 -1.786 1.00 0.00 C ATOM 196 C ARG A 75 -3.641 -10.916 -0.339 1.00 0.00 C ATOM 197 O ARG A 75 -4.440 -11.110 0.575 1.00 0.00 O ATOM 198 CB ARG A 75 -5.443 -11.789 -1.833 1.00 0.00 C ATOM 199 CG ARG A 75 -6.040 -11.841 -3.231 1.00 0.00 C ATOM 200 CD ARG A 75 -6.622 -10.498 -3.624 1.00 0.00 C ATOM 201 NE ARG A 75 -7.514 -9.976 -2.588 1.00 0.00 N ATOM 202 CZ ARG A 75 -7.467 -8.734 -2.096 1.00 0.00 C ATOM 203 NH1 ARG A 75 -6.613 -7.833 -2.574 1.00 0.00 N ATOM 204 NH2 ARG A 75 -8.297 -8.387 -1.122 1.00 0.00 N ATOM 0 H ARG A 75 -3.437 -13.159 -2.390 1.00 0.00 H new ATOM 0 HA ARG A 75 -3.953 -10.312 -2.363 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -5.446 -12.794 -1.410 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -6.082 -11.174 -1.199 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -5.272 -12.132 -3.948 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -6.818 -12.604 -3.270 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -5.814 -9.788 -3.801 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -7.170 -10.598 -4.561 1.00 0.00 H new ATOM 0 HE ARG A 75 -8.224 -10.606 -2.214 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -5.977 -8.084 -3.331 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -6.594 -6.891 -2.184 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -8.964 -9.066 -0.754 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -8.268 -7.442 -0.740 1.00 0.00 H new ATOM 218 N CYS A 76 -2.434 -10.386 -0.159 1.00 0.00 N ATOM 219 CA CYS A 76 -1.911 -10.001 1.156 1.00 0.00 C ATOM 220 C CYS A 76 -2.432 -10.895 2.302 1.00 0.00 C ATOM 221 O CYS A 76 -1.794 -11.889 2.651 1.00 0.00 O ATOM 222 CB CYS A 76 -2.217 -8.519 1.409 1.00 0.00 C ATOM 223 SG CYS A 76 -1.212 -7.759 2.702 1.00 0.00 S ATOM 0 H CYS A 76 -1.784 -10.209 -0.925 1.00 0.00 H new ATOM 0 HA CYS A 76 -0.831 -10.151 1.143 1.00 0.00 H new ATOM 0 HB2 CYS A 76 -2.071 -7.967 0.481 1.00 0.00 H new ATOM 0 HB3 CYS A 76 -3.269 -8.419 1.677 1.00 0.00 H new ATOM 0 HG CYS A 76 -1.593 -6.529 2.881 1.00 0.00 H new ATOM 228 N GLY A 77 -3.585 -10.551 2.881 1.00 0.00 N ATOM 229 CA GLY A 77 -4.127 -11.342 3.974 1.00 0.00 C ATOM 230 C GLY A 77 -4.148 -10.586 5.292 1.00 0.00 C ATOM 231 O GLY A 77 -4.891 -10.943 6.207 1.00 0.00 O ATOM 0 H GLY A 77 -4.148 -9.744 2.613 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -5.141 -11.654 3.723 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -3.534 -12.249 4.090 1.00 0.00 H new ATOM 235 N ARG A 78 -3.328 -9.543 5.392 1.00 0.00 N ATOM 236 CA ARG A 78 -3.261 -8.737 6.607 1.00 0.00 C ATOM 237 C ARG A 78 -4.416 -7.741 6.653 1.00 0.00 C ATOM 238 O ARG A 78 -4.826 -7.203 5.625 1.00 0.00 O ATOM 239 CB ARG A 78 -1.923 -7.996 6.683 1.00 0.00 C ATOM 240 CG ARG A 78 -1.743 -7.191 7.961 1.00 0.00 C ATOM 241 CD ARG A 78 -0.437 -6.410 7.948 1.00 0.00 C ATOM 242 NE ARG A 78 -0.266 -5.605 9.156 1.00 0.00 N ATOM 243 CZ ARG A 78 0.315 -6.046 10.271 1.00 0.00 C ATOM 244 NH1 ARG A 78 0.764 -7.292 10.350 1.00 0.00 N ATOM 245 NH2 ARG A 78 0.439 -5.238 11.315 1.00 0.00 N ATOM 0 H ARG A 78 -2.702 -9.237 4.647 1.00 0.00 H new ATOM 0 HA ARG A 78 -3.342 -9.404 7.466 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -1.112 -8.719 6.602 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -1.839 -7.326 5.827 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -2.579 -6.502 8.079 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -1.759 -7.862 8.820 1.00 0.00 H new ATOM 0 HD2 ARG A 78 0.399 -7.103 7.854 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -0.412 -5.760 7.073 1.00 0.00 H new ATOM 0 HE ARG A 78 -0.613 -4.646 9.145 1.00 0.00 H new ATOM 0 HH11 ARG A 78 0.666 -7.921 9.553 1.00 0.00 H new ATOM 0 HH12 ARG A 78 1.207 -7.621 11.208 1.00 0.00 H new ATOM 0 HH21 ARG A 78 0.090 -4.281 11.264 1.00 0.00 H new ATOM 0 HH22 ARG A 78 0.883 -5.573 12.170 1.00 0.00 H new ATOM 259 N ALA A 79 -4.937 -7.498 7.852 1.00 0.00 N ATOM 260 CA ALA A 79 -6.053 -6.576 8.031 1.00 0.00 C ATOM 261 C ALA A 79 -5.709 -5.169 7.551 1.00 0.00 C ATOM 262 O ALA A 79 -4.542 -4.779 7.524 1.00 0.00 O ATOM 263 CB ALA A 79 -6.474 -6.542 9.493 1.00 0.00 C ATOM 0 H ALA A 79 -4.603 -7.928 8.715 1.00 0.00 H new ATOM 0 HA ALA A 79 -6.882 -6.939 7.423 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -7.308 -5.851 9.616 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -6.781 -7.540 9.807 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -5.635 -6.211 10.106 1.00 0.00 H new ATOM 269 N ALA A 80 -6.738 -4.415 7.167 1.00 0.00 N ATOM 270 CA ALA A 80 -6.552 -3.045 6.706 1.00 0.00 C ATOM 271 C ALA A 80 -6.217 -2.138 7.883 1.00 0.00 C ATOM 272 O ALA A 80 -6.712 -2.345 8.991 1.00 0.00 O ATOM 273 CB ALA A 80 -7.796 -2.551 5.983 1.00 0.00 C ATOM 0 H ALA A 80 -7.708 -4.732 7.167 1.00 0.00 H new ATOM 0 HA ALA A 80 -5.720 -3.022 6.002 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -7.638 -1.526 5.646 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -7.994 -3.190 5.122 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -8.648 -2.583 6.662 1.00 0.00 H new ATOM 279 N GLY A 81 -5.386 -1.130 7.642 1.00 0.00 N ATOM 280 CA GLY A 81 -4.990 -0.235 8.713 1.00 0.00 C ATOM 281 C GLY A 81 -5.592 1.154 8.611 1.00 0.00 C ATOM 282 O GLY A 81 -6.808 1.313 8.500 1.00 0.00 O ATOM 0 H GLY A 81 -4.982 -0.917 6.730 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -5.279 -0.676 9.667 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -3.903 -0.149 8.718 1.00 0.00 H new ATOM 286 N ASN A 82 -4.724 2.162 8.649 1.00 0.00 N ATOM 287 CA ASN A 82 -5.154 3.555 8.601 1.00 0.00 C ATOM 288 C ASN A 82 -4.631 4.274 7.356 1.00 0.00 C ATOM 289 O ASN A 82 -4.711 5.499 7.266 1.00 0.00 O ATOM 290 CB ASN A 82 -4.653 4.276 9.853 1.00 0.00 C ATOM 291 CG ASN A 82 -5.486 5.489 10.209 1.00 0.00 C ATOM 292 OD1 ASN A 82 -6.202 6.035 9.371 1.00 0.00 O ATOM 293 ND2 ASN A 82 -5.388 5.923 11.460 1.00 0.00 N ATOM 0 H ASN A 82 -3.714 2.038 8.713 1.00 0.00 H new ATOM 0 HA ASN A 82 -6.243 3.570 8.558 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -4.656 3.580 10.692 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -3.619 4.584 9.699 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -5.919 6.741 11.759 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -4.781 5.439 12.122 1.00 0.00 H new ATOM 300 N ALA A 83 -4.100 3.521 6.397 1.00 0.00 N ATOM 301 CA ALA A 83 -3.564 4.119 5.179 1.00 0.00 C ATOM 302 C ALA A 83 -4.476 3.876 3.984 1.00 0.00 C ATOM 303 O ALA A 83 -4.988 2.774 3.790 1.00 0.00 O ATOM 304 CB ALA A 83 -2.171 3.582 4.894 1.00 0.00 C ATOM 0 H ALA A 83 -4.030 2.504 6.439 1.00 0.00 H new ATOM 0 HA ALA A 83 -3.506 5.196 5.339 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -1.785 4.038 3.982 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -1.511 3.822 5.727 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -2.217 2.500 4.768 1.00 0.00 H new ATOM 310 N SER A 84 -4.670 4.918 3.184 1.00 0.00 N ATOM 311 CA SER A 84 -5.508 4.828 1.998 1.00 0.00 C ATOM 312 C SER A 84 -4.652 4.851 0.739 1.00 0.00 C ATOM 313 O SER A 84 -3.571 5.439 0.723 1.00 0.00 O ATOM 314 CB SER A 84 -6.504 5.989 1.958 1.00 0.00 C ATOM 315 OG SER A 84 -5.868 7.189 1.553 1.00 0.00 O ATOM 0 H SER A 84 -4.256 5.837 3.337 1.00 0.00 H new ATOM 0 HA SER A 84 -6.057 3.887 2.041 1.00 0.00 H new ATOM 0 HB2 SER A 84 -7.316 5.753 1.270 1.00 0.00 H new ATOM 0 HB3 SER A 84 -6.950 6.124 2.943 1.00 0.00 H new ATOM 0 HG SER A 84 -6.524 7.916 1.533 1.00 0.00 H new ATOM 321 N PHE A 85 -5.135 4.203 -0.312 1.00 0.00 N ATOM 322 CA PHE A 85 -4.419 4.170 -1.579 1.00 0.00 C ATOM 323 C PHE A 85 -4.569 5.506 -2.293 1.00 0.00 C ATOM 324 O PHE A 85 -5.686 5.953 -2.558 1.00 0.00 O ATOM 325 CB PHE A 85 -4.950 3.035 -2.453 1.00 0.00 C ATOM 326 CG PHE A 85 -4.261 2.907 -3.781 1.00 0.00 C ATOM 327 CD1 PHE A 85 -3.056 2.230 -3.892 1.00 0.00 C ATOM 328 CD2 PHE A 85 -4.833 3.443 -4.923 1.00 0.00 C ATOM 329 CE1 PHE A 85 -2.438 2.087 -5.120 1.00 0.00 C ATOM 330 CE2 PHE A 85 -4.216 3.309 -6.151 1.00 0.00 C ATOM 331 CZ PHE A 85 -3.019 2.629 -6.250 1.00 0.00 C ATOM 0 H PHE A 85 -6.019 3.694 -0.312 1.00 0.00 H new ATOM 0 HA PHE A 85 -3.361 3.992 -1.386 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -4.847 2.095 -1.911 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -6.016 3.190 -2.623 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -2.596 1.810 -3.010 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -5.772 3.972 -4.852 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -1.503 1.553 -5.196 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -4.670 3.736 -7.033 1.00 0.00 H new ATOM 0 HZ PHE A 85 -2.537 2.521 -7.210 1.00 0.00 H new ATOM 341 N SER A 86 -3.446 6.145 -2.595 1.00 0.00 N ATOM 342 CA SER A 86 -3.467 7.439 -3.264 1.00 0.00 C ATOM 343 C SER A 86 -2.561 7.447 -4.489 1.00 0.00 C ATOM 344 O SER A 86 -2.113 6.400 -4.954 1.00 0.00 O ATOM 345 CB SER A 86 -3.024 8.536 -2.296 1.00 0.00 C ATOM 346 OG SER A 86 -1.640 8.432 -2.011 1.00 0.00 O ATOM 0 H SER A 86 -2.512 5.790 -2.388 1.00 0.00 H new ATOM 0 HA SER A 86 -4.489 7.627 -3.592 1.00 0.00 H new ATOM 0 HB2 SER A 86 -3.238 9.514 -2.727 1.00 0.00 H new ATOM 0 HB3 SER A 86 -3.596 8.463 -1.371 1.00 0.00 H new ATOM 0 HG SER A 86 -1.311 9.290 -1.669 1.00 0.00 H new ATOM 352 N LYS A 87 -2.334 8.640 -5.025 1.00 0.00 N ATOM 353 CA LYS A 87 -1.473 8.819 -6.186 1.00 0.00 C ATOM 354 C LYS A 87 0.000 8.768 -5.785 1.00 0.00 C ATOM 355 O LYS A 87 0.830 8.189 -6.486 1.00 0.00 O ATOM 356 CB LYS A 87 -1.799 10.147 -6.867 1.00 0.00 C ATOM 357 CG LYS A 87 -3.293 10.384 -7.017 1.00 0.00 C ATOM 358 CD LYS A 87 -3.586 11.759 -7.592 1.00 0.00 C ATOM 359 CE LYS A 87 -4.264 11.659 -8.947 1.00 0.00 C ATOM 360 NZ LYS A 87 -3.451 10.877 -9.918 1.00 0.00 N ATOM 0 H LYS A 87 -2.739 9.506 -4.669 1.00 0.00 H new ATOM 0 HA LYS A 87 -1.655 8.005 -6.887 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -1.363 10.962 -6.289 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -1.332 10.169 -7.852 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -3.720 9.619 -7.666 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -3.777 10.285 -6.045 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -4.224 12.314 -6.904 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -2.657 12.320 -7.689 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -5.241 11.190 -8.830 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -4.437 12.660 -9.341 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -3.681 11.179 -10.886 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -2.440 11.041 -9.736 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -3.662 9.864 -9.812 1.00 0.00 H new ATOM 374 N ARG A 88 0.317 9.395 -4.652 1.00 0.00 N ATOM 375 CA ARG A 88 1.684 9.423 -4.138 1.00 0.00 C ATOM 376 C ARG A 88 2.215 8.004 -3.967 1.00 0.00 C ATOM 377 O ARG A 88 3.389 7.738 -4.226 1.00 0.00 O ATOM 378 CB ARG A 88 1.715 10.210 -2.816 1.00 0.00 C ATOM 379 CG ARG A 88 2.917 9.931 -1.914 1.00 0.00 C ATOM 380 CD ARG A 88 2.704 8.710 -1.025 1.00 0.00 C ATOM 381 NE ARG A 88 1.295 8.512 -0.671 1.00 0.00 N ATOM 382 CZ ARG A 88 0.770 8.690 0.545 1.00 0.00 C ATOM 383 NH1 ARG A 88 1.488 9.195 1.542 1.00 0.00 N ATOM 384 NH2 ARG A 88 -0.506 8.393 0.753 1.00 0.00 N ATOM 0 H ARG A 88 -0.359 9.892 -4.071 1.00 0.00 H new ATOM 0 HA ARG A 88 2.337 9.927 -4.850 1.00 0.00 H new ATOM 0 HB2 ARG A 88 1.695 11.275 -3.047 1.00 0.00 H new ATOM 0 HB3 ARG A 88 0.805 9.987 -2.259 1.00 0.00 H new ATOM 0 HG2 ARG A 88 3.803 9.779 -2.530 1.00 0.00 H new ATOM 0 HG3 ARG A 88 3.110 10.803 -1.289 1.00 0.00 H new ATOM 0 HD2 ARG A 88 3.075 7.822 -1.538 1.00 0.00 H new ATOM 0 HD3 ARG A 88 3.292 8.821 -0.114 1.00 0.00 H new ATOM 0 HE ARG A 88 0.663 8.214 -1.414 1.00 0.00 H new ATOM 0 HH11 ARG A 88 2.462 9.456 1.388 1.00 0.00 H new ATOM 0 HH12 ARG A 88 1.065 9.322 2.462 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -1.077 8.032 -0.011 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -0.916 8.525 1.677 1.00 0.00 H new ATOM 398 N ILE A 89 1.346 7.093 -3.540 1.00 0.00 N ATOM 399 CA ILE A 89 1.736 5.701 -3.370 1.00 0.00 C ATOM 400 C ILE A 89 1.945 5.057 -4.738 1.00 0.00 C ATOM 401 O ILE A 89 2.820 4.212 -4.909 1.00 0.00 O ATOM 402 CB ILE A 89 0.685 4.903 -2.562 1.00 0.00 C ATOM 403 CG1 ILE A 89 0.583 5.461 -1.137 1.00 0.00 C ATOM 404 CG2 ILE A 89 1.033 3.419 -2.533 1.00 0.00 C ATOM 405 CD1 ILE A 89 -0.227 4.597 -0.193 1.00 0.00 C ATOM 0 H ILE A 89 0.373 7.293 -3.307 1.00 0.00 H new ATOM 0 HA ILE A 89 2.668 5.679 -2.805 1.00 0.00 H new ATOM 0 HB ILE A 89 -0.283 5.011 -3.052 1.00 0.00 H new ATOM 0 HG12 ILE A 89 1.588 5.580 -0.732 1.00 0.00 H new ATOM 0 HG13 ILE A 89 0.136 6.454 -1.178 1.00 0.00 H new ATOM 0 HG21 ILE A 89 0.279 2.880 -1.959 1.00 0.00 H new ATOM 0 HG22 ILE A 89 1.060 3.032 -3.551 1.00 0.00 H new ATOM 0 HG23 ILE A 89 2.009 3.283 -2.068 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -0.251 5.060 0.793 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -1.244 4.498 -0.573 1.00 0.00 H new ATOM 0 HD13 ILE A 89 0.231 3.610 -0.120 1.00 0.00 H new ATOM 417 N GLN A 90 1.133 5.469 -5.709 1.00 0.00 N ATOM 418 CA GLN A 90 1.242 4.948 -7.067 1.00 0.00 C ATOM 419 C GLN A 90 2.597 5.321 -7.652 1.00 0.00 C ATOM 420 O GLN A 90 3.271 4.500 -8.274 1.00 0.00 O ATOM 421 CB GLN A 90 0.118 5.509 -7.941 1.00 0.00 C ATOM 422 CG GLN A 90 0.047 4.879 -9.326 1.00 0.00 C ATOM 423 CD GLN A 90 1.032 5.484 -10.311 1.00 0.00 C ATOM 424 OE1 GLN A 90 1.727 4.764 -11.027 1.00 0.00 O ATOM 425 NE2 GLN A 90 1.075 6.811 -10.378 1.00 0.00 N ATOM 0 H GLN A 90 0.394 6.161 -5.580 1.00 0.00 H new ATOM 0 HA GLN A 90 1.151 3.862 -7.040 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -0.835 5.358 -7.434 1.00 0.00 H new ATOM 0 HB3 GLN A 90 0.255 6.585 -8.048 1.00 0.00 H new ATOM 0 HG2 GLN A 90 0.239 3.809 -9.241 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -0.964 4.992 -9.718 1.00 0.00 H new ATOM 0 HE21 GLN A 90 0.482 7.372 -9.766 1.00 0.00 H new ATOM 0 HE22 GLN A 90 1.701 7.268 -11.041 1.00 0.00 H new ATOM 434 N LYS A 91 2.985 6.572 -7.437 1.00 0.00 N ATOM 435 CA LYS A 91 4.260 7.077 -7.912 1.00 0.00 C ATOM 436 C LYS A 91 5.401 6.359 -7.196 1.00 0.00 C ATOM 437 O LYS A 91 6.389 5.962 -7.815 1.00 0.00 O ATOM 438 CB LYS A 91 4.322 8.586 -7.665 1.00 0.00 C ATOM 439 CG LYS A 91 4.538 9.413 -8.925 1.00 0.00 C ATOM 440 CD LYS A 91 5.962 9.302 -9.446 1.00 0.00 C ATOM 441 CE LYS A 91 6.610 10.671 -9.584 1.00 0.00 C ATOM 442 NZ LYS A 91 5.795 11.596 -10.422 1.00 0.00 N ATOM 0 H LYS A 91 2.426 7.259 -6.931 1.00 0.00 H new ATOM 0 HA LYS A 91 4.361 6.890 -8.981 1.00 0.00 H new ATOM 0 HB2 LYS A 91 3.394 8.904 -7.189 1.00 0.00 H new ATOM 0 HB3 LYS A 91 5.129 8.796 -6.963 1.00 0.00 H new ATOM 0 HG2 LYS A 91 3.843 9.084 -9.698 1.00 0.00 H new ATOM 0 HG3 LYS A 91 4.310 10.458 -8.716 1.00 0.00 H new ATOM 0 HD2 LYS A 91 6.552 8.685 -8.768 1.00 0.00 H new ATOM 0 HD3 LYS A 91 5.959 8.800 -10.413 1.00 0.00 H new ATOM 0 HE2 LYS A 91 6.749 11.107 -8.595 1.00 0.00 H new ATOM 0 HE3 LYS A 91 7.600 10.560 -10.026 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 6.424 12.258 -10.920 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 5.251 11.046 -11.117 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 5.141 12.130 -9.814 1.00 0.00 H new ATOM 456 N SER A 92 5.245 6.187 -5.885 1.00 0.00 N ATOM 457 CA SER A 92 6.244 5.498 -5.076 1.00 0.00 C ATOM 458 C SER A 92 6.467 4.088 -5.610 1.00 0.00 C ATOM 459 O SER A 92 7.602 3.620 -5.708 1.00 0.00 O ATOM 460 CB SER A 92 5.795 5.441 -3.615 1.00 0.00 C ATOM 461 OG SER A 92 6.694 4.676 -2.831 1.00 0.00 O ATOM 0 H SER A 92 4.434 6.516 -5.361 1.00 0.00 H new ATOM 0 HA SER A 92 7.182 6.050 -5.133 1.00 0.00 H new ATOM 0 HB2 SER A 92 5.728 6.452 -3.213 1.00 0.00 H new ATOM 0 HB3 SER A 92 4.797 5.007 -3.555 1.00 0.00 H new ATOM 0 HG SER A 92 6.821 5.110 -1.961 1.00 0.00 H new ATOM 467 N ILE A 93 5.371 3.415 -5.949 1.00 0.00 N ATOM 468 CA ILE A 93 5.438 2.065 -6.491 1.00 0.00 C ATOM 469 C ILE A 93 6.153 2.081 -7.840 1.00 0.00 C ATOM 470 O ILE A 93 7.026 1.252 -8.103 1.00 0.00 O ATOM 471 CB ILE A 93 4.024 1.454 -6.658 1.00 0.00 C ATOM 472 CG1 ILE A 93 3.363 1.254 -5.294 1.00 0.00 C ATOM 473 CG2 ILE A 93 4.082 0.129 -7.410 1.00 0.00 C ATOM 474 CD1 ILE A 93 1.891 0.911 -5.381 1.00 0.00 C ATOM 0 H ILE A 93 4.425 3.785 -5.857 1.00 0.00 H new ATOM 0 HA ILE A 93 5.996 1.447 -5.787 1.00 0.00 H new ATOM 0 HB ILE A 93 3.426 2.153 -7.243 1.00 0.00 H new ATOM 0 HG12 ILE A 93 3.883 0.458 -4.761 1.00 0.00 H new ATOM 0 HG13 ILE A 93 3.482 2.163 -4.705 1.00 0.00 H new ATOM 0 HG21 ILE A 93 3.075 -0.276 -7.512 1.00 0.00 H new ATOM 0 HG22 ILE A 93 4.510 0.291 -8.399 1.00 0.00 H new ATOM 0 HG23 ILE A 93 4.702 -0.576 -6.857 1.00 0.00 H new ATOM 0 HD11 ILE A 93 1.487 0.783 -4.377 1.00 0.00 H new ATOM 0 HD12 ILE A 93 1.359 1.717 -5.886 1.00 0.00 H new ATOM 0 HD13 ILE A 93 1.766 -0.015 -5.943 1.00 0.00 H new ATOM 486 N SER A 94 5.775 3.034 -8.687 1.00 0.00 N ATOM 487 CA SER A 94 6.373 3.171 -10.010 1.00 0.00 C ATOM 488 C SER A 94 7.890 3.297 -9.914 1.00 0.00 C ATOM 489 O SER A 94 8.623 2.673 -10.680 1.00 0.00 O ATOM 490 CB SER A 94 5.792 4.391 -10.725 1.00 0.00 C ATOM 491 OG SER A 94 6.550 4.715 -11.878 1.00 0.00 O ATOM 0 H SER A 94 5.054 3.725 -8.479 1.00 0.00 H new ATOM 0 HA SER A 94 6.140 2.274 -10.583 1.00 0.00 H new ATOM 0 HB2 SER A 94 4.759 4.192 -11.009 1.00 0.00 H new ATOM 0 HB3 SER A 94 5.777 5.242 -10.045 1.00 0.00 H new ATOM 0 HG SER A 94 6.157 5.498 -12.318 1.00 0.00 H new ATOM 497 N GLN A 95 8.354 4.117 -8.976 1.00 0.00 N ATOM 498 CA GLN A 95 9.785 4.313 -8.775 1.00 0.00 C ATOM 499 C GLN A 95 10.456 3.008 -8.345 1.00 0.00 C ATOM 500 O GLN A 95 11.671 2.855 -8.465 1.00 0.00 O ATOM 501 CB GLN A 95 10.033 5.405 -7.734 1.00 0.00 C ATOM 502 CG GLN A 95 10.403 6.744 -8.330 1.00 0.00 C ATOM 503 CD GLN A 95 11.630 6.693 -9.229 1.00 0.00 C ATOM 504 OE1 GLN A 95 11.756 7.481 -10.166 1.00 0.00 O ATOM 505 NE2 GLN A 95 12.548 5.771 -8.948 1.00 0.00 N ATOM 0 H GLN A 95 7.761 4.655 -8.344 1.00 0.00 H new ATOM 0 HA GLN A 95 10.222 4.628 -9.723 1.00 0.00 H new ATOM 0 HB2 GLN A 95 9.137 5.524 -7.125 1.00 0.00 H new ATOM 0 HB3 GLN A 95 10.831 5.082 -7.066 1.00 0.00 H new ATOM 0 HG2 GLN A 95 9.558 7.123 -8.904 1.00 0.00 H new ATOM 0 HG3 GLN A 95 10.584 7.454 -7.523 1.00 0.00 H new ATOM 0 HE21 GLN A 95 12.408 5.135 -8.163 1.00 0.00 H new ATOM 0 HE22 GLN A 95 13.391 5.700 -9.518 1.00 0.00 H new ATOM 514 N LYS A 96 9.655 2.074 -7.836 1.00 0.00 N ATOM 515 CA LYS A 96 10.163 0.777 -7.408 1.00 0.00 C ATOM 516 C LYS A 96 9.957 -0.252 -8.511 1.00 0.00 C ATOM 517 O LYS A 96 10.784 -1.140 -8.717 1.00 0.00 O ATOM 518 CB LYS A 96 9.433 0.304 -6.148 1.00 0.00 C ATOM 519 CG LYS A 96 9.426 1.311 -5.016 1.00 0.00 C ATOM 520 CD LYS A 96 8.262 1.061 -4.071 1.00 0.00 C ATOM 521 CE LYS A 96 8.735 0.731 -2.665 1.00 0.00 C ATOM 522 NZ LYS A 96 9.615 -0.467 -2.637 1.00 0.00 N ATOM 0 H LYS A 96 8.650 2.194 -7.711 1.00 0.00 H new ATOM 0 HA LYS A 96 11.226 0.882 -7.192 1.00 0.00 H new ATOM 0 HB2 LYS A 96 8.403 0.061 -6.409 1.00 0.00 H new ATOM 0 HB3 LYS A 96 9.899 -0.617 -5.797 1.00 0.00 H new ATOM 0 HG2 LYS A 96 10.365 1.251 -4.466 1.00 0.00 H new ATOM 0 HG3 LYS A 96 9.359 2.320 -5.423 1.00 0.00 H new ATOM 0 HD2 LYS A 96 7.622 1.943 -4.041 1.00 0.00 H new ATOM 0 HD3 LYS A 96 7.655 0.240 -4.452 1.00 0.00 H new ATOM 0 HE2 LYS A 96 9.273 1.585 -2.254 1.00 0.00 H new ATOM 0 HE3 LYS A 96 7.871 0.560 -2.023 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 9.587 -0.897 -1.690 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 9.284 -1.158 -3.341 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 10.591 -0.186 -2.861 1.00 0.00 H new ATOM 536 N LYS A 97 8.841 -0.112 -9.222 1.00 0.00 N ATOM 537 CA LYS A 97 8.485 -1.036 -10.290 1.00 0.00 C ATOM 538 C LYS A 97 8.367 -2.445 -9.728 1.00 0.00 C ATOM 539 O LYS A 97 9.256 -3.279 -9.903 1.00 0.00 O ATOM 540 CB LYS A 97 9.510 -0.986 -11.427 1.00 0.00 C ATOM 541 CG LYS A 97 8.878 -0.763 -12.793 1.00 0.00 C ATOM 542 CD LYS A 97 8.005 -1.940 -13.203 1.00 0.00 C ATOM 543 CE LYS A 97 6.869 -1.508 -14.118 1.00 0.00 C ATOM 544 NZ LYS A 97 7.362 -1.013 -15.433 1.00 0.00 N ATOM 0 H LYS A 97 8.165 0.638 -9.075 1.00 0.00 H new ATOM 0 HA LYS A 97 7.522 -0.738 -10.705 1.00 0.00 H new ATOM 0 HB2 LYS A 97 10.224 -0.187 -11.229 1.00 0.00 H new ATOM 0 HB3 LYS A 97 10.073 -1.919 -11.442 1.00 0.00 H new ATOM 0 HG2 LYS A 97 8.278 0.147 -12.773 1.00 0.00 H new ATOM 0 HG3 LYS A 97 9.660 -0.613 -13.537 1.00 0.00 H new ATOM 0 HD2 LYS A 97 8.616 -2.687 -13.710 1.00 0.00 H new ATOM 0 HD3 LYS A 97 7.594 -2.415 -12.312 1.00 0.00 H new ATOM 0 HE2 LYS A 97 6.194 -2.349 -14.278 1.00 0.00 H new ATOM 0 HE3 LYS A 97 6.290 -0.723 -13.630 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 6.553 -0.730 -16.023 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 7.985 -0.194 -15.284 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 7.892 -1.769 -15.912 1.00 0.00 H new ATOM 558 N VAL A 98 7.263 -2.690 -9.032 1.00 0.00 N ATOM 559 CA VAL A 98 7.010 -3.984 -8.414 1.00 0.00 C ATOM 560 C VAL A 98 5.711 -4.595 -8.927 1.00 0.00 C ATOM 561 O VAL A 98 4.925 -3.932 -9.602 1.00 0.00 O ATOM 562 CB VAL A 98 6.936 -3.853 -6.882 1.00 0.00 C ATOM 563 CG1 VAL A 98 8.291 -3.460 -6.313 1.00 0.00 C ATOM 564 CG2 VAL A 98 5.875 -2.837 -6.487 1.00 0.00 C ATOM 0 H VAL A 98 6.524 -2.003 -8.881 1.00 0.00 H new ATOM 0 HA VAL A 98 7.840 -4.638 -8.682 1.00 0.00 H new ATOM 0 HB VAL A 98 6.658 -4.821 -6.466 1.00 0.00 H new ATOM 0 HG11 VAL A 98 8.219 -3.372 -5.229 1.00 0.00 H new ATOM 0 HG12 VAL A 98 9.027 -4.222 -6.567 1.00 0.00 H new ATOM 0 HG13 VAL A 98 8.599 -2.503 -6.735 1.00 0.00 H new ATOM 0 HG21 VAL A 98 5.835 -2.756 -5.401 1.00 0.00 H new ATOM 0 HG22 VAL A 98 6.124 -1.866 -6.914 1.00 0.00 H new ATOM 0 HG23 VAL A 98 4.904 -3.160 -6.863 1.00 0.00 H new ATOM 574 N LYS A 99 5.484 -5.860 -8.586 1.00 0.00 N ATOM 575 CA LYS A 99 4.281 -6.568 -9.015 1.00 0.00 C ATOM 576 C LYS A 99 3.116 -6.319 -8.059 1.00 0.00 C ATOM 577 O LYS A 99 2.407 -7.249 -7.674 1.00 0.00 O ATOM 578 CB LYS A 99 4.558 -8.069 -9.113 1.00 0.00 C ATOM 579 CG LYS A 99 5.575 -8.431 -10.183 1.00 0.00 C ATOM 580 CD LYS A 99 4.941 -9.251 -11.294 1.00 0.00 C ATOM 581 CE LYS A 99 5.822 -9.284 -12.530 1.00 0.00 C ATOM 582 NZ LYS A 99 6.354 -7.934 -12.865 1.00 0.00 N ATOM 0 H LYS A 99 6.118 -6.417 -8.013 1.00 0.00 H new ATOM 0 HA LYS A 99 4.003 -6.185 -9.997 1.00 0.00 H new ATOM 0 HB2 LYS A 99 4.915 -8.428 -8.148 1.00 0.00 H new ATOM 0 HB3 LYS A 99 3.623 -8.590 -9.321 1.00 0.00 H new ATOM 0 HG2 LYS A 99 6.006 -7.521 -10.601 1.00 0.00 H new ATOM 0 HG3 LYS A 99 6.393 -8.994 -9.734 1.00 0.00 H new ATOM 0 HD2 LYS A 99 4.766 -10.268 -10.943 1.00 0.00 H new ATOM 0 HD3 LYS A 99 3.969 -8.830 -11.550 1.00 0.00 H new ATOM 0 HE2 LYS A 99 6.652 -9.972 -12.367 1.00 0.00 H new ATOM 0 HE3 LYS A 99 5.250 -9.669 -13.374 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 6.527 -7.873 -13.889 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 5.662 -7.209 -12.587 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 7.245 -7.775 -12.353 1.00 0.00 H new ATOM 596 N ILE A 100 2.917 -5.059 -7.684 1.00 0.00 N ATOM 597 CA ILE A 100 1.834 -4.689 -6.786 1.00 0.00 C ATOM 598 C ILE A 100 0.863 -3.757 -7.494 1.00 0.00 C ATOM 599 O ILE A 100 1.183 -2.600 -7.765 1.00 0.00 O ATOM 600 CB ILE A 100 2.363 -4.001 -5.513 1.00 0.00 C ATOM 601 CG1 ILE A 100 3.362 -4.911 -4.796 1.00 0.00 C ATOM 602 CG2 ILE A 100 1.210 -3.638 -4.590 1.00 0.00 C ATOM 603 CD1 ILE A 100 4.102 -4.228 -3.667 1.00 0.00 C ATOM 0 H ILE A 100 3.495 -4.276 -7.991 1.00 0.00 H new ATOM 0 HA ILE A 100 1.322 -5.606 -6.494 1.00 0.00 H new ATOM 0 HB ILE A 100 2.876 -3.083 -5.798 1.00 0.00 H new ATOM 0 HG12 ILE A 100 2.832 -5.777 -4.400 1.00 0.00 H new ATOM 0 HG13 ILE A 100 4.086 -5.284 -5.521 1.00 0.00 H new ATOM 0 HG21 ILE A 100 1.599 -3.153 -3.695 1.00 0.00 H new ATOM 0 HG22 ILE A 100 0.532 -2.958 -5.105 1.00 0.00 H new ATOM 0 HG23 ILE A 100 0.672 -4.543 -4.307 1.00 0.00 H new ATOM 0 HD11 ILE A 100 4.793 -4.934 -3.205 1.00 0.00 H new ATOM 0 HD12 ILE A 100 4.660 -3.378 -4.060 1.00 0.00 H new ATOM 0 HD13 ILE A 100 3.387 -3.879 -2.922 1.00 0.00 H new ATOM 615 N GLU A 101 -0.319 -4.270 -7.802 1.00 0.00 N ATOM 616 CA GLU A 101 -1.328 -3.486 -8.497 1.00 0.00 C ATOM 617 C GLU A 101 -2.623 -3.430 -7.700 1.00 0.00 C ATOM 618 O GLU A 101 -2.849 -4.242 -6.803 1.00 0.00 O ATOM 619 CB GLU A 101 -1.588 -4.087 -9.877 1.00 0.00 C ATOM 620 CG GLU A 101 -0.315 -4.438 -10.629 1.00 0.00 C ATOM 621 CD GLU A 101 -0.578 -5.284 -11.857 1.00 0.00 C ATOM 622 OE1 GLU A 101 -0.634 -6.524 -11.722 1.00 0.00 O ATOM 623 OE2 GLU A 101 -0.726 -4.708 -12.954 1.00 0.00 O ATOM 0 H GLU A 101 -0.602 -5.225 -7.582 1.00 0.00 H new ATOM 0 HA GLU A 101 -0.956 -2.468 -8.609 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -2.196 -4.985 -9.766 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -2.169 -3.380 -10.470 1.00 0.00 H new ATOM 0 HG2 GLU A 101 0.192 -3.520 -10.927 1.00 0.00 H new ATOM 0 HG3 GLU A 101 0.361 -4.973 -9.962 1.00 0.00 H new ATOM 630 N LEU A 102 -3.471 -2.470 -8.036 1.00 0.00 N ATOM 631 CA LEU A 102 -4.745 -2.306 -7.355 1.00 0.00 C ATOM 632 C LEU A 102 -5.798 -3.250 -7.922 1.00 0.00 C ATOM 633 O LEU A 102 -5.868 -3.476 -9.130 1.00 0.00 O ATOM 634 CB LEU A 102 -5.232 -0.860 -7.471 1.00 0.00 C ATOM 635 CG LEU A 102 -6.700 -0.644 -7.099 1.00 0.00 C ATOM 636 CD1 LEU A 102 -6.915 -0.797 -5.603 1.00 0.00 C ATOM 637 CD2 LEU A 102 -7.174 0.707 -7.560 1.00 0.00 C ATOM 0 H LEU A 102 -3.299 -1.792 -8.778 1.00 0.00 H new ATOM 0 HA LEU A 102 -4.592 -2.550 -6.304 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -4.614 -0.231 -6.831 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -5.078 -0.521 -8.495 1.00 0.00 H new ATOM 0 HG LEU A 102 -7.287 -1.410 -7.607 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -7.968 -0.638 -5.369 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -6.622 -1.800 -5.294 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -6.310 -0.063 -5.071 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -8.220 0.839 -7.285 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -6.574 1.484 -7.087 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -7.072 0.778 -8.643 1.00 0.00 H new ATOM 649 N ASP A 103 -6.627 -3.778 -7.035 1.00 0.00 N ATOM 650 CA ASP A 103 -7.705 -4.665 -7.433 1.00 0.00 C ATOM 651 C ASP A 103 -8.930 -3.816 -7.725 1.00 0.00 C ATOM 652 O ASP A 103 -9.253 -2.909 -6.960 1.00 0.00 O ATOM 653 CB ASP A 103 -8.019 -5.676 -6.328 1.00 0.00 C ATOM 654 CG ASP A 103 -8.967 -6.770 -6.790 1.00 0.00 C ATOM 655 OD1 ASP A 103 -9.631 -6.580 -7.831 1.00 0.00 O ATOM 656 OD2 ASP A 103 -9.047 -7.815 -6.110 1.00 0.00 O ATOM 0 H ASP A 103 -6.572 -3.606 -6.031 1.00 0.00 H new ATOM 0 HA ASP A 103 -7.408 -5.226 -8.319 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -7.090 -6.128 -5.980 1.00 0.00 H new ATOM 0 HB3 ASP A 103 -8.458 -5.155 -5.478 1.00 0.00 H new ATOM 661 N LYS A 104 -9.603 -4.093 -8.829 1.00 0.00 N ATOM 662 CA LYS A 104 -10.774 -3.316 -9.211 1.00 0.00 C ATOM 663 C LYS A 104 -12.042 -3.830 -8.533 1.00 0.00 C ATOM 664 O LYS A 104 -13.008 -3.086 -8.365 1.00 0.00 O ATOM 665 CB LYS A 104 -10.936 -3.337 -10.730 1.00 0.00 C ATOM 666 CG LYS A 104 -9.720 -2.813 -11.482 1.00 0.00 C ATOM 667 CD LYS A 104 -9.786 -1.306 -11.684 1.00 0.00 C ATOM 668 CE LYS A 104 -8.814 -0.570 -10.774 1.00 0.00 C ATOM 669 NZ LYS A 104 -7.399 -0.935 -11.062 1.00 0.00 N ATOM 0 H LYS A 104 -9.362 -4.845 -9.474 1.00 0.00 H new ATOM 0 HA LYS A 104 -10.620 -2.290 -8.877 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -11.138 -4.359 -11.051 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -11.806 -2.739 -11.002 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -8.815 -3.066 -10.930 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -9.651 -3.307 -12.451 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -9.561 -1.069 -12.724 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -10.800 -0.957 -11.490 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -8.944 0.505 -10.898 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -9.044 -0.801 -9.734 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -6.776 -0.147 -10.794 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -7.141 -1.782 -10.516 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -7.291 -1.132 -12.078 1.00 0.00 H new ATOM 683 N SER A 105 -12.039 -5.100 -8.139 1.00 0.00 N ATOM 684 CA SER A 105 -13.200 -5.695 -7.483 1.00 0.00 C ATOM 685 C SER A 105 -13.446 -5.062 -6.116 1.00 0.00 C ATOM 686 O SER A 105 -14.557 -5.118 -5.587 1.00 0.00 O ATOM 687 CB SER A 105 -13.009 -7.205 -7.323 1.00 0.00 C ATOM 688 OG SER A 105 -12.093 -7.496 -6.280 1.00 0.00 O ATOM 0 H SER A 105 -11.250 -5.735 -8.261 1.00 0.00 H new ATOM 0 HA SER A 105 -14.069 -5.507 -8.114 1.00 0.00 H new ATOM 0 HB2 SER A 105 -13.969 -7.676 -7.110 1.00 0.00 H new ATOM 0 HB3 SER A 105 -12.646 -7.630 -8.259 1.00 0.00 H new ATOM 0 HG SER A 105 -11.989 -8.467 -6.197 1.00 0.00 H new ATOM 694 N ALA A 106 -12.404 -4.457 -5.549 1.00 0.00 N ATOM 695 CA ALA A 106 -12.503 -3.823 -4.239 1.00 0.00 C ATOM 696 C ALA A 106 -13.439 -2.620 -4.263 1.00 0.00 C ATOM 697 O ALA A 106 -13.565 -1.932 -5.277 1.00 0.00 O ATOM 698 CB ALA A 106 -11.124 -3.408 -3.752 1.00 0.00 C ATOM 0 H ALA A 106 -11.481 -4.393 -5.978 1.00 0.00 H new ATOM 0 HA ALA A 106 -12.923 -4.554 -3.548 1.00 0.00 H new ATOM 0 HB1 ALA A 106 -11.211 -2.936 -2.773 1.00 0.00 H new ATOM 0 HB2 ALA A 106 -10.485 -4.288 -3.675 1.00 0.00 H new ATOM 0 HB3 ALA A 106 -10.686 -2.702 -4.458 1.00 0.00 H new ATOM 704 N ARG A 107 -14.088 -2.370 -3.130 1.00 0.00 N ATOM 705 CA ARG A 107 -15.022 -1.256 -3.005 1.00 0.00 C ATOM 706 C ARG A 107 -14.418 -0.139 -2.168 1.00 0.00 C ATOM 707 O ARG A 107 -14.601 1.043 -2.458 1.00 0.00 O ATOM 708 CB ARG A 107 -16.339 -1.712 -2.359 1.00 0.00 C ATOM 709 CG ARG A 107 -16.536 -3.222 -2.322 1.00 0.00 C ATOM 710 CD ARG A 107 -18.010 -3.576 -2.338 1.00 0.00 C ATOM 711 NE ARG A 107 -18.706 -2.885 -3.417 1.00 0.00 N ATOM 712 CZ ARG A 107 -19.979 -2.506 -3.363 1.00 0.00 C ATOM 713 NH1 ARG A 107 -20.729 -2.805 -2.309 1.00 0.00 N ATOM 714 NH2 ARG A 107 -20.508 -1.834 -4.374 1.00 0.00 N ATOM 0 H ARG A 107 -13.984 -2.927 -2.282 1.00 0.00 H new ATOM 0 HA ARG A 107 -15.226 -0.886 -4.010 1.00 0.00 H new ATOM 0 HB2 ARG A 107 -16.381 -1.328 -1.340 1.00 0.00 H new ATOM 0 HB3 ARG A 107 -17.170 -1.263 -2.903 1.00 0.00 H new ATOM 0 HG2 ARG A 107 -16.039 -3.679 -3.178 1.00 0.00 H new ATOM 0 HG3 ARG A 107 -16.069 -3.632 -1.426 1.00 0.00 H new ATOM 0 HD2 ARG A 107 -18.127 -4.653 -2.457 1.00 0.00 H new ATOM 0 HD3 ARG A 107 -18.461 -3.310 -1.382 1.00 0.00 H new ATOM 0 HE ARG A 107 -18.182 -2.679 -4.268 1.00 0.00 H new ATOM 0 HH11 ARG A 107 -20.329 -3.330 -1.531 1.00 0.00 H new ATOM 0 HH12 ARG A 107 -21.705 -2.510 -2.277 1.00 0.00 H new ATOM 0 HH21 ARG A 107 -19.939 -1.609 -5.190 1.00 0.00 H new ATOM 0 HH22 ARG A 107 -21.484 -1.541 -4.337 1.00 0.00 H new ATOM 728 N HIS A 108 -13.697 -0.528 -1.124 1.00 0.00 N ATOM 729 CA HIS A 108 -13.071 0.429 -0.225 1.00 0.00 C ATOM 730 C HIS A 108 -11.655 0.770 -0.670 1.00 0.00 C ATOM 731 O HIS A 108 -11.089 0.117 -1.547 1.00 0.00 O ATOM 732 CB HIS A 108 -13.043 -0.134 1.197 1.00 0.00 C ATOM 733 CG HIS A 108 -12.321 -1.443 1.309 1.00 0.00 C ATOM 734 ND1 HIS A 108 -10.965 -1.576 1.093 1.00 0.00 N ATOM 735 CD2 HIS A 108 -12.773 -2.681 1.618 1.00 0.00 C ATOM 736 CE1 HIS A 108 -10.615 -2.839 1.266 1.00 0.00 C ATOM 737 NE2 HIS A 108 -11.694 -3.529 1.585 1.00 0.00 N ATOM 0 H HIS A 108 -13.532 -1.504 -0.880 1.00 0.00 H new ATOM 0 HA HIS A 108 -13.662 1.345 -0.247 1.00 0.00 H new ATOM 0 HB2 HIS A 108 -12.567 0.592 1.857 1.00 0.00 H new ATOM 0 HB3 HIS A 108 -14.067 -0.262 1.549 1.00 0.00 H new ATOM 0 HD2 HIS A 108 -13.793 -2.951 1.848 1.00 0.00 H new ATOM 0 HE1 HIS A 108 -9.617 -3.238 1.164 1.00 0.00 H new ATOM 0 HE2 HIS A 108 -11.722 -4.531 1.776 1.00 0.00 H new ATOM 746 N LEU A 109 -11.092 1.803 -0.055 1.00 0.00 N ATOM 747 CA LEU A 109 -9.739 2.241 -0.364 1.00 0.00 C ATOM 748 C LEU A 109 -8.902 2.299 0.909 1.00 0.00 C ATOM 749 O LEU A 109 -8.621 3.376 1.434 1.00 0.00 O ATOM 750 CB LEU A 109 -9.760 3.613 -1.039 1.00 0.00 C ATOM 751 CG LEU A 109 -10.448 3.653 -2.406 1.00 0.00 C ATOM 752 CD1 LEU A 109 -10.750 5.088 -2.804 1.00 0.00 C ATOM 753 CD2 LEU A 109 -9.581 2.977 -3.459 1.00 0.00 C ATOM 0 H LEU A 109 -11.557 2.356 0.666 1.00 0.00 H new ATOM 0 HA LEU A 109 -9.292 1.522 -1.051 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -10.261 4.319 -0.377 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -8.733 3.959 -1.156 1.00 0.00 H new ATOM 0 HG LEU A 109 -11.390 3.109 -2.336 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -11.239 5.100 -3.778 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -11.408 5.541 -2.062 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -9.820 5.654 -2.858 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -10.085 3.015 -4.425 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -8.624 3.494 -3.529 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -9.412 1.937 -3.178 1.00 0.00 H new ATOM 765 N TYR A 110 -8.527 1.128 1.410 1.00 0.00 N ATOM 766 CA TYR A 110 -7.722 1.031 2.619 1.00 0.00 C ATOM 767 C TYR A 110 -6.742 -0.128 2.511 1.00 0.00 C ATOM 768 O TYR A 110 -7.108 -1.227 2.096 1.00 0.00 O ATOM 769 CB TYR A 110 -8.613 0.840 3.849 1.00 0.00 C ATOM 770 CG TYR A 110 -9.521 2.014 4.136 1.00 0.00 C ATOM 771 CD1 TYR A 110 -9.081 3.087 4.904 1.00 0.00 C ATOM 772 CD2 TYR A 110 -10.818 2.048 3.644 1.00 0.00 C ATOM 773 CE1 TYR A 110 -9.911 4.159 5.170 1.00 0.00 C ATOM 774 CE2 TYR A 110 -11.654 3.117 3.905 1.00 0.00 C ATOM 775 CZ TYR A 110 -11.195 4.170 4.669 1.00 0.00 C ATOM 776 OH TYR A 110 -12.025 5.235 4.933 1.00 0.00 O ATOM 0 H TYR A 110 -8.770 0.229 0.994 1.00 0.00 H new ATOM 0 HA TYR A 110 -7.165 1.961 2.730 1.00 0.00 H new ATOM 0 HB2 TYR A 110 -9.223 -0.053 3.709 1.00 0.00 H new ATOM 0 HB3 TYR A 110 -7.981 0.661 4.719 1.00 0.00 H new ATOM 0 HD1 TYR A 110 -8.076 3.082 5.298 1.00 0.00 H new ATOM 0 HD2 TYR A 110 -11.181 1.225 3.047 1.00 0.00 H new ATOM 0 HE1 TYR A 110 -9.555 4.985 5.768 1.00 0.00 H new ATOM 0 HE2 TYR A 110 -12.660 3.128 3.513 1.00 0.00 H new ATOM 0 HH TYR A 110 -12.894 5.086 4.506 1.00 0.00 H new ATOM 786 N ILE A 111 -5.495 0.125 2.881 1.00 0.00 N ATOM 787 CA ILE A 111 -4.465 -0.900 2.825 1.00 0.00 C ATOM 788 C ILE A 111 -3.932 -1.211 4.215 1.00 0.00 C ATOM 789 O ILE A 111 -4.153 -0.453 5.160 1.00 0.00 O ATOM 790 CB ILE A 111 -3.293 -0.471 1.923 1.00 0.00 C ATOM 791 CG1 ILE A 111 -2.594 0.757 2.509 1.00 0.00 C ATOM 792 CG2 ILE A 111 -3.789 -0.184 0.513 1.00 0.00 C ATOM 793 CD1 ILE A 111 -1.403 1.217 1.696 1.00 0.00 C ATOM 0 H ILE A 111 -5.173 1.030 3.223 1.00 0.00 H new ATOM 0 HA ILE A 111 -4.927 -1.793 2.405 1.00 0.00 H new ATOM 0 HB ILE A 111 -2.572 -1.287 1.874 1.00 0.00 H new ATOM 0 HG12 ILE A 111 -3.312 1.574 2.582 1.00 0.00 H new ATOM 0 HG13 ILE A 111 -2.266 0.529 3.523 1.00 0.00 H new ATOM 0 HG21 ILE A 111 -2.950 0.118 -0.113 1.00 0.00 H new ATOM 0 HG22 ILE A 111 -4.246 -1.082 0.098 1.00 0.00 H new ATOM 0 HG23 ILE A 111 -4.527 0.618 0.543 1.00 0.00 H new ATOM 0 HD11 ILE A 111 -0.955 2.091 2.169 1.00 0.00 H new ATOM 0 HD12 ILE A 111 -0.666 0.415 1.644 1.00 0.00 H new ATOM 0 HD13 ILE A 111 -1.728 1.476 0.689 1.00 0.00 H new ATOM 805 N CYS A 112 -3.231 -2.329 4.335 1.00 0.00 N ATOM 806 CA CYS A 112 -2.662 -2.734 5.610 1.00 0.00 C ATOM 807 C CYS A 112 -1.442 -1.883 5.946 1.00 0.00 C ATOM 808 O CYS A 112 -0.962 -1.115 5.114 1.00 0.00 O ATOM 809 CB CYS A 112 -2.276 -4.212 5.571 1.00 0.00 C ATOM 810 SG CYS A 112 -1.209 -4.656 4.183 1.00 0.00 S ATOM 0 H CYS A 112 -3.043 -2.971 3.565 1.00 0.00 H new ATOM 0 HA CYS A 112 -3.414 -2.586 6.385 1.00 0.00 H new ATOM 0 HB2 CYS A 112 -1.770 -4.470 6.502 1.00 0.00 H new ATOM 0 HB3 CYS A 112 -3.184 -4.813 5.525 1.00 0.00 H new ATOM 0 HG CYS A 112 -1.899 -4.634 3.081 1.00 0.00 H new ATOM 815 N ASP A 113 -0.950 -2.020 7.171 1.00 0.00 N ATOM 816 CA ASP A 113 0.216 -1.266 7.614 1.00 0.00 C ATOM 817 C ASP A 113 1.475 -1.798 6.938 1.00 0.00 C ATOM 818 O ASP A 113 2.390 -1.042 6.609 1.00 0.00 O ATOM 819 CB ASP A 113 0.353 -1.362 9.135 1.00 0.00 C ATOM 820 CG ASP A 113 0.805 -0.059 9.762 1.00 0.00 C ATOM 821 OD1 ASP A 113 0.231 0.995 9.418 1.00 0.00 O ATOM 822 OD2 ASP A 113 1.725 -0.093 10.607 1.00 0.00 O ATOM 0 H ASP A 113 -1.340 -2.646 7.875 1.00 0.00 H new ATOM 0 HA ASP A 113 0.086 -0.220 7.336 1.00 0.00 H new ATOM 0 HB2 ASP A 113 -0.605 -1.655 9.565 1.00 0.00 H new ATOM 0 HB3 ASP A 113 1.067 -2.147 9.383 1.00 0.00 H new ATOM 827 N TYR A 114 1.502 -3.109 6.727 1.00 0.00 N ATOM 828 CA TYR A 114 2.635 -3.774 6.093 1.00 0.00 C ATOM 829 C TYR A 114 3.053 -3.063 4.808 1.00 0.00 C ATOM 830 O TYR A 114 4.180 -2.578 4.696 1.00 0.00 O ATOM 831 CB TYR A 114 2.272 -5.230 5.791 1.00 0.00 C ATOM 832 CG TYR A 114 3.349 -5.999 5.059 1.00 0.00 C ATOM 833 CD1 TYR A 114 4.439 -6.524 5.740 1.00 0.00 C ATOM 834 CD2 TYR A 114 3.269 -6.206 3.687 1.00 0.00 C ATOM 835 CE1 TYR A 114 5.422 -7.233 5.075 1.00 0.00 C ATOM 836 CE2 TYR A 114 4.247 -6.915 3.016 1.00 0.00 C ATOM 837 CZ TYR A 114 5.321 -7.426 3.714 1.00 0.00 C ATOM 838 OH TYR A 114 6.296 -8.132 3.048 1.00 0.00 O ATOM 0 H TYR A 114 0.743 -3.738 6.989 1.00 0.00 H new ATOM 0 HA TYR A 114 3.479 -3.740 6.782 1.00 0.00 H new ATOM 0 HB2 TYR A 114 2.051 -5.740 6.729 1.00 0.00 H new ATOM 0 HB3 TYR A 114 1.359 -5.249 5.195 1.00 0.00 H new ATOM 0 HD1 TYR A 114 4.520 -6.376 6.807 1.00 0.00 H new ATOM 0 HD2 TYR A 114 2.430 -5.807 3.137 1.00 0.00 H new ATOM 0 HE1 TYR A 114 6.265 -7.634 5.619 1.00 0.00 H new ATOM 0 HE2 TYR A 114 4.171 -7.068 1.950 1.00 0.00 H new ATOM 0 HH TYR A 114 6.073 -8.178 2.095 1.00 0.00 H new ATOM 848 N HIS A 115 2.141 -2.999 3.844 1.00 0.00 N ATOM 849 CA HIS A 115 2.425 -2.358 2.564 1.00 0.00 C ATOM 850 C HIS A 115 2.669 -0.858 2.722 1.00 0.00 C ATOM 851 O HIS A 115 3.488 -0.281 2.008 1.00 0.00 O ATOM 852 CB HIS A 115 1.285 -2.608 1.575 1.00 0.00 C ATOM 853 CG HIS A 115 1.333 -3.968 0.946 1.00 0.00 C ATOM 854 ND1 HIS A 115 0.241 -4.800 0.951 1.00 0.00 N ATOM 855 CD2 HIS A 115 2.358 -4.586 0.310 1.00 0.00 C ATOM 856 CE1 HIS A 115 0.619 -5.898 0.322 1.00 0.00 C ATOM 857 NE2 HIS A 115 1.895 -5.815 -0.085 1.00 0.00 N ATOM 0 H HIS A 115 1.199 -3.383 3.924 1.00 0.00 H new ATOM 0 HA HIS A 115 3.340 -2.803 2.172 1.00 0.00 H new ATOM 0 HB2 HIS A 115 0.333 -2.487 2.091 1.00 0.00 H new ATOM 0 HB3 HIS A 115 1.321 -1.851 0.791 1.00 0.00 H new ATOM 0 HD1 HIS A 115 -0.675 -4.609 1.357 1.00 0.00 H new ATOM 0 HD2 HIS A 115 3.348 -4.187 0.146 1.00 0.00 H new ATOM 0 HE1 HIS A 115 -0.018 -6.754 0.156 1.00 0.00 H new ATOM 865 N LYS A 116 1.959 -0.227 3.652 1.00 0.00 N ATOM 866 CA LYS A 116 2.123 1.205 3.881 1.00 0.00 C ATOM 867 C LYS A 116 3.577 1.534 4.202 1.00 0.00 C ATOM 868 O LYS A 116 4.149 2.475 3.652 1.00 0.00 O ATOM 869 CB LYS A 116 1.225 1.679 5.025 1.00 0.00 C ATOM 870 CG LYS A 116 1.284 3.182 5.252 1.00 0.00 C ATOM 871 CD LYS A 116 0.777 3.562 6.634 1.00 0.00 C ATOM 872 CE LYS A 116 1.627 2.935 7.725 1.00 0.00 C ATOM 873 NZ LYS A 116 3.081 3.057 7.437 1.00 0.00 N ATOM 0 H LYS A 116 1.271 -0.679 4.254 1.00 0.00 H new ATOM 0 HA LYS A 116 1.833 1.724 2.967 1.00 0.00 H new ATOM 0 HB2 LYS A 116 0.195 1.391 4.813 1.00 0.00 H new ATOM 0 HB3 LYS A 116 1.517 1.168 5.943 1.00 0.00 H new ATOM 0 HG2 LYS A 116 2.311 3.528 5.133 1.00 0.00 H new ATOM 0 HG3 LYS A 116 0.687 3.688 4.493 1.00 0.00 H new ATOM 0 HD2 LYS A 116 0.786 4.647 6.741 1.00 0.00 H new ATOM 0 HD3 LYS A 116 -0.258 3.239 6.746 1.00 0.00 H new ATOM 0 HE2 LYS A 116 1.405 3.414 8.678 1.00 0.00 H new ATOM 0 HE3 LYS A 116 1.365 1.882 7.829 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 3.614 3.040 8.330 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 3.384 2.263 6.837 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 3.263 3.954 6.942 1.00 0.00 H new ATOM 887 N ASN A 117 4.167 0.749 5.096 1.00 0.00 N ATOM 888 CA ASN A 117 5.553 0.951 5.504 1.00 0.00 C ATOM 889 C ASN A 117 6.519 0.500 4.412 1.00 0.00 C ATOM 890 O ASN A 117 7.544 1.138 4.172 1.00 0.00 O ATOM 891 CB ASN A 117 5.831 0.181 6.799 1.00 0.00 C ATOM 892 CG ASN A 117 7.258 0.344 7.281 1.00 0.00 C ATOM 893 OD1 ASN A 117 7.581 1.301 7.984 1.00 0.00 O ATOM 894 ND2 ASN A 117 8.121 -0.596 6.911 1.00 0.00 N ATOM 0 H ASN A 117 3.705 -0.037 5.554 1.00 0.00 H new ATOM 0 HA ASN A 117 5.707 2.016 5.675 1.00 0.00 H new ATOM 0 HB2 ASN A 117 5.148 0.525 7.575 1.00 0.00 H new ATOM 0 HB3 ASN A 117 5.624 -0.877 6.639 1.00 0.00 H new ATOM 0 HD21 ASN A 117 9.094 -0.541 7.211 1.00 0.00 H new ATOM 0 HD22 ASN A 117 7.810 -1.373 6.327 1.00 0.00 H new ATOM 901 N LEU A 118 6.178 -0.596 3.750 1.00 0.00 N ATOM 902 CA LEU A 118 7.010 -1.149 2.688 1.00 0.00 C ATOM 903 C LEU A 118 7.115 -0.191 1.502 1.00 0.00 C ATOM 904 O LEU A 118 8.169 -0.077 0.874 1.00 0.00 O ATOM 905 CB LEU A 118 6.422 -2.487 2.221 1.00 0.00 C ATOM 906 CG LEU A 118 7.416 -3.469 1.595 1.00 0.00 C ATOM 907 CD1 LEU A 118 6.704 -4.741 1.160 1.00 0.00 C ATOM 908 CD2 LEU A 118 8.136 -2.830 0.416 1.00 0.00 C ATOM 0 H LEU A 118 5.324 -1.124 3.931 1.00 0.00 H new ATOM 0 HA LEU A 118 8.013 -1.301 3.087 1.00 0.00 H new ATOM 0 HB2 LEU A 118 5.949 -2.972 3.075 1.00 0.00 H new ATOM 0 HB3 LEU A 118 5.635 -2.283 1.495 1.00 0.00 H new ATOM 0 HG LEU A 118 8.160 -3.729 2.348 1.00 0.00 H new ATOM 0 HD11 LEU A 118 7.425 -5.428 0.717 1.00 0.00 H new ATOM 0 HD12 LEU A 118 6.239 -5.212 2.026 1.00 0.00 H new ATOM 0 HD13 LEU A 118 5.938 -4.496 0.425 1.00 0.00 H new ATOM 0 HD21 LEU A 118 8.837 -3.546 -0.013 1.00 0.00 H new ATOM 0 HD22 LEU A 118 7.407 -2.538 -0.340 1.00 0.00 H new ATOM 0 HD23 LEU A 118 8.680 -1.949 0.756 1.00 0.00 H new ATOM 920 N ILE A 119 6.025 0.512 1.213 1.00 0.00 N ATOM 921 CA ILE A 119 5.981 1.429 0.077 1.00 0.00 C ATOM 922 C ILE A 119 6.430 2.846 0.429 1.00 0.00 C ATOM 923 O ILE A 119 7.186 3.465 -0.319 1.00 0.00 O ATOM 924 CB ILE A 119 4.560 1.475 -0.515 1.00 0.00 C ATOM 925 CG1 ILE A 119 4.139 0.070 -0.946 1.00 0.00 C ATOM 926 CG2 ILE A 119 4.490 2.442 -1.690 1.00 0.00 C ATOM 927 CD1 ILE A 119 2.663 -0.060 -1.251 1.00 0.00 C ATOM 0 H ILE A 119 5.159 0.465 1.750 1.00 0.00 H new ATOM 0 HA ILE A 119 6.686 1.041 -0.658 1.00 0.00 H new ATOM 0 HB ILE A 119 3.872 1.834 0.250 1.00 0.00 H new ATOM 0 HG12 ILE A 119 4.709 -0.215 -1.830 1.00 0.00 H new ATOM 0 HG13 ILE A 119 4.401 -0.635 -0.157 1.00 0.00 H new ATOM 0 HG21 ILE A 119 3.476 2.456 -2.090 1.00 0.00 H new ATOM 0 HG22 ILE A 119 4.761 3.443 -1.354 1.00 0.00 H new ATOM 0 HG23 ILE A 119 5.182 2.120 -2.468 1.00 0.00 H new ATOM 0 HD11 ILE A 119 2.442 -1.085 -1.550 1.00 0.00 H new ATOM 0 HD12 ILE A 119 2.084 0.192 -0.362 1.00 0.00 H new ATOM 0 HD13 ILE A 119 2.398 0.619 -2.061 1.00 0.00 H new ATOM 939 N GLN A 120 5.967 3.355 1.559 1.00 0.00 N ATOM 940 CA GLN A 120 6.304 4.714 1.975 1.00 0.00 C ATOM 941 C GLN A 120 7.785 4.899 2.294 1.00 0.00 C ATOM 942 O GLN A 120 8.368 5.932 1.965 1.00 0.00 O ATOM 943 CB GLN A 120 5.492 5.107 3.211 1.00 0.00 C ATOM 944 CG GLN A 120 4.103 5.610 2.899 1.00 0.00 C ATOM 945 CD GLN A 120 3.558 6.512 3.988 1.00 0.00 C ATOM 946 OE1 GLN A 120 3.842 6.325 5.171 1.00 0.00 O ATOM 947 NE2 GLN A 120 2.785 7.507 3.588 1.00 0.00 N ATOM 0 H GLN A 120 5.358 2.853 2.205 1.00 0.00 H new ATOM 0 HA GLN A 120 6.062 5.354 1.127 1.00 0.00 H new ATOM 0 HB2 GLN A 120 5.415 4.244 3.872 1.00 0.00 H new ATOM 0 HB3 GLN A 120 6.033 5.879 3.758 1.00 0.00 H new ATOM 0 HG2 GLN A 120 4.120 6.154 1.955 1.00 0.00 H new ATOM 0 HG3 GLN A 120 3.433 4.761 2.765 1.00 0.00 H new ATOM 0 HE21 GLN A 120 2.576 7.624 2.596 1.00 0.00 H new ATOM 0 HE22 GLN A 120 2.398 8.158 4.271 1.00 0.00 H new ATOM 956 N SER A 121 8.393 3.902 2.924 1.00 0.00 N ATOM 957 CA SER A 121 9.775 4.004 3.355 1.00 0.00 C ATOM 958 C SER A 121 10.802 3.419 2.381 1.00 0.00 C ATOM 959 O SER A 121 11.627 2.595 2.773 1.00 0.00 O ATOM 960 CB SER A 121 9.893 3.314 4.701 1.00 0.00 C ATOM 961 OG SER A 121 8.944 3.830 5.619 1.00 0.00 O ATOM 0 H SER A 121 7.946 3.012 3.147 1.00 0.00 H new ATOM 0 HA SER A 121 10.014 5.066 3.409 1.00 0.00 H new ATOM 0 HB2 SER A 121 9.741 2.242 4.579 1.00 0.00 H new ATOM 0 HB3 SER A 121 10.899 3.450 5.097 1.00 0.00 H new ATOM 0 HG SER A 121 9.037 3.370 6.479 1.00 0.00 H new