USER MOD reduce.3.24.130724 H: found=0, std=0, add=493, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 493 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 129 TYR OH : rot 163:sc= 0.844 USER MOD Set 1.2: A 133 LYS NZ :NH3+ -166:sc= 0.864 (180deg=-0.163) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0.0139 USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 66 MET CE :methyl 135:sc= -0.671 (180deg=-1.87!) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 MET CE :methyl -167:sc= -0.814 (180deg=-1.54) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 92 TYR OH : rot -136:sc= 1.29 USER MOD Single : A 95 SER OG : rot -4:sc= 0.542! USER MOD Single : A 96 LYS NZ :NH3+ 139:sc= -0.151 (180deg=-1.01) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 105 THR OG1 : rot 89:sc= 0.243! USER MOD Single : A 107 ASN : amide:sc= 0.0252 X(o=0.025,f=-0.15) USER MOD Single : A 108 THR OG1 : rot -65:sc= 0.97 USER MOD Single : A 109 SER OG : rot 180:sc= -0.539! USER MOD Single : A 110 CYS SG : rot -43:sc= 0.209 USER MOD Single : A 118 CYS SG : rot -170:sc= 0.00898 USER MOD Single : A 123 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 127 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 130 HIS : no HE2:sc= -0.0751 X(o=-0.075,f=-0.34) USER MOD Single : A 134 SER OG : rot 180:sc= 0 USER MOD Single : A 135 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 78 N THR A 62 -12.147 -2.404 -5.235 1.00 0.00 N ATOM 79 CA THR A 62 -12.390 -3.370 -4.165 1.00 0.00 C ATOM 80 C THR A 62 -11.132 -3.547 -3.315 1.00 0.00 C ATOM 81 O THR A 62 -10.017 -3.424 -3.821 1.00 0.00 O ATOM 82 CB THR A 62 -12.791 -4.719 -4.769 1.00 0.00 C ATOM 83 OG1 THR A 62 -11.622 -5.464 -5.075 1.00 0.00 O ATOM 84 CG2 THR A 62 -13.600 -4.487 -6.047 1.00 0.00 C ATOM 0 HA THR A 62 -13.196 -2.998 -3.533 1.00 0.00 H new ATOM 0 HB THR A 62 -13.398 -5.273 -4.053 1.00 0.00 H new ATOM 0 HG1 THR A 62 -11.876 -6.328 -5.460 1.00 0.00 H new ATOM 0 HG21 THR A 62 -13.885 -5.447 -6.476 1.00 0.00 H new ATOM 0 HG22 THR A 62 -14.497 -3.914 -5.811 1.00 0.00 H new ATOM 0 HG23 THR A 62 -12.995 -3.934 -6.765 1.00 0.00 H new ATOM 92 N PRO A 63 -11.284 -3.835 -2.045 1.00 0.00 N ATOM 93 CA PRO A 63 -10.122 -4.033 -1.125 1.00 0.00 C ATOM 94 C PRO A 63 -9.250 -5.209 -1.560 1.00 0.00 C ATOM 95 O PRO A 63 -8.025 -5.163 -1.447 1.00 0.00 O ATOM 96 CB PRO A 63 -10.766 -4.294 0.246 1.00 0.00 C ATOM 97 CG PRO A 63 -12.177 -4.695 -0.039 1.00 0.00 C ATOM 98 CD PRO A 63 -12.567 -4.009 -1.346 1.00 0.00 C ATOM 0 HA PRO A 63 -9.455 -3.171 -1.116 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -10.237 -5.081 0.784 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -10.731 -3.402 0.871 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -12.262 -5.778 -0.129 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -12.838 -4.390 0.772 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -13.260 -4.618 -1.927 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -13.058 -3.053 -1.165 1.00 0.00 H new ATOM 106 N GLU A 64 -9.892 -6.259 -2.062 1.00 0.00 N ATOM 107 CA GLU A 64 -9.168 -7.438 -2.515 1.00 0.00 C ATOM 108 C GLU A 64 -8.382 -7.122 -3.783 1.00 0.00 C ATOM 109 O GLU A 64 -7.272 -7.621 -3.979 1.00 0.00 O ATOM 110 CB GLU A 64 -10.148 -8.580 -2.790 1.00 0.00 C ATOM 111 CG GLU A 64 -9.375 -9.817 -3.255 1.00 0.00 C ATOM 112 CD GLU A 64 -10.273 -11.048 -3.189 1.00 0.00 C ATOM 113 OE1 GLU A 64 -11.268 -11.069 -3.896 1.00 0.00 O ATOM 114 OE2 GLU A 64 -9.952 -11.950 -2.434 1.00 0.00 O ATOM 0 H GLU A 64 -10.905 -6.316 -2.164 1.00 0.00 H new ATOM 0 HA GLU A 64 -8.472 -7.740 -1.732 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -10.716 -8.811 -1.889 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -10.867 -8.280 -3.552 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -9.018 -9.671 -4.275 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -8.496 -9.964 -2.628 1.00 0.00 H new ATOM 121 N GLN A 65 -8.962 -6.290 -4.641 1.00 0.00 N ATOM 122 CA GLN A 65 -8.308 -5.912 -5.887 1.00 0.00 C ATOM 123 C GLN A 65 -7.048 -5.099 -5.604 1.00 0.00 C ATOM 124 O GLN A 65 -5.960 -5.446 -6.064 1.00 0.00 O ATOM 125 CB GLN A 65 -9.264 -5.092 -6.754 1.00 0.00 C ATOM 126 CG GLN A 65 -8.603 -4.788 -8.103 1.00 0.00 C ATOM 127 CD GLN A 65 -9.660 -4.362 -9.117 1.00 0.00 C ATOM 128 OE1 GLN A 65 -9.716 -4.905 -10.221 1.00 0.00 O ATOM 129 NE2 GLN A 65 -10.507 -3.420 -8.806 1.00 0.00 N ATOM 0 H GLN A 65 -9.879 -5.867 -4.497 1.00 0.00 H new ATOM 0 HA GLN A 65 -8.029 -6.822 -6.419 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -10.193 -5.641 -6.908 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -9.524 -4.163 -6.247 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -7.862 -3.998 -7.984 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -8.074 -5.670 -8.465 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -10.458 -2.972 -7.891 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -11.218 -3.131 -9.478 1.00 0.00 H new ATOM 138 N MET A 66 -7.202 -4.019 -4.847 1.00 0.00 N ATOM 139 CA MET A 66 -6.065 -3.169 -4.511 1.00 0.00 C ATOM 140 C MET A 66 -4.993 -3.976 -3.786 1.00 0.00 C ATOM 141 O MET A 66 -3.798 -3.784 -4.011 1.00 0.00 O ATOM 142 CB MET A 66 -6.518 -2.003 -3.628 1.00 0.00 C ATOM 143 CG MET A 66 -7.194 -2.541 -2.370 1.00 0.00 C ATOM 144 SD MET A 66 -7.774 -1.155 -1.355 1.00 0.00 S ATOM 145 CE MET A 66 -8.992 -0.499 -2.522 1.00 0.00 C ATOM 0 H MET A 66 -8.093 -3.713 -4.457 1.00 0.00 H new ATOM 0 HA MET A 66 -5.646 -2.774 -5.437 1.00 0.00 H new ATOM 0 HB2 MET A 66 -5.661 -1.386 -3.356 1.00 0.00 H new ATOM 0 HB3 MET A 66 -7.209 -1.365 -4.179 1.00 0.00 H new ATOM 0 HG2 MET A 66 -8.032 -3.183 -2.641 1.00 0.00 H new ATOM 0 HG3 MET A 66 -6.494 -3.154 -1.802 1.00 0.00 H new ATOM 0 HE1 MET A 66 -9.916 -0.269 -1.992 1.00 0.00 H new ATOM 0 HE2 MET A 66 -8.602 0.409 -2.983 1.00 0.00 H new ATOM 0 HE3 MET A 66 -9.192 -1.241 -3.295 1.00 0.00 H new ATOM 155 N ALA A 67 -5.428 -4.880 -2.913 1.00 0.00 N ATOM 156 CA ALA A 67 -4.497 -5.708 -2.159 1.00 0.00 C ATOM 157 C ALA A 67 -3.742 -6.653 -3.090 1.00 0.00 C ATOM 158 O ALA A 67 -2.570 -6.955 -2.865 1.00 0.00 O ATOM 159 CB ALA A 67 -5.254 -6.517 -1.105 1.00 0.00 C ATOM 0 H ALA A 67 -6.412 -5.056 -2.712 1.00 0.00 H new ATOM 0 HA ALA A 67 -3.777 -5.055 -1.665 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -4.551 -7.134 -0.545 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -5.764 -5.838 -0.422 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -5.987 -7.157 -1.595 1.00 0.00 H new ATOM 165 N LYS A 68 -4.420 -7.116 -4.135 1.00 0.00 N ATOM 166 CA LYS A 68 -3.798 -8.024 -5.090 1.00 0.00 C ATOM 167 C LYS A 68 -2.710 -7.302 -5.882 1.00 0.00 C ATOM 168 O LYS A 68 -1.591 -7.798 -6.010 1.00 0.00 O ATOM 169 CB LYS A 68 -4.854 -8.579 -6.052 1.00 0.00 C ATOM 170 CG LYS A 68 -5.613 -9.725 -5.376 1.00 0.00 C ATOM 171 CD LYS A 68 -6.905 -10.007 -6.146 1.00 0.00 C ATOM 172 CE LYS A 68 -6.572 -10.346 -7.601 1.00 0.00 C ATOM 173 NZ LYS A 68 -7.747 -11.002 -8.240 1.00 0.00 N ATOM 0 H LYS A 68 -5.391 -6.880 -4.341 1.00 0.00 H new ATOM 0 HA LYS A 68 -3.345 -8.848 -4.539 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -5.548 -7.790 -6.341 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -4.377 -8.934 -6.966 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -4.991 -10.620 -5.348 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -5.843 -9.464 -4.343 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -7.443 -10.834 -5.683 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -7.561 -9.138 -6.106 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -6.308 -9.439 -8.145 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -5.706 -11.007 -7.643 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -7.521 -11.232 -9.229 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -7.979 -11.875 -7.725 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -8.562 -10.357 -8.213 1.00 0.00 H new ATOM 187 N GLU A 69 -3.049 -6.128 -6.407 1.00 0.00 N ATOM 188 CA GLU A 69 -2.095 -5.343 -7.184 1.00 0.00 C ATOM 189 C GLU A 69 -0.940 -4.883 -6.301 1.00 0.00 C ATOM 190 O GLU A 69 0.207 -4.812 -6.747 1.00 0.00 O ATOM 191 CB GLU A 69 -2.793 -4.125 -7.791 1.00 0.00 C ATOM 192 CG GLU A 69 -3.819 -4.588 -8.828 1.00 0.00 C ATOM 193 CD GLU A 69 -3.105 -5.088 -10.079 1.00 0.00 C ATOM 194 OE1 GLU A 69 -2.737 -6.250 -10.102 1.00 0.00 O ATOM 195 OE2 GLU A 69 -2.937 -4.300 -10.996 1.00 0.00 O ATOM 0 H GLU A 69 -3.970 -5.702 -6.310 1.00 0.00 H new ATOM 0 HA GLU A 69 -1.700 -5.970 -7.984 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -3.286 -3.548 -7.009 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -2.060 -3.468 -8.258 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -4.438 -5.382 -8.410 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -4.486 -3.765 -9.084 1.00 0.00 H new ATOM 202 N MET A 70 -1.247 -4.578 -5.047 1.00 0.00 N ATOM 203 CA MET A 70 -0.223 -4.133 -4.112 1.00 0.00 C ATOM 204 C MET A 70 0.667 -5.306 -3.710 1.00 0.00 C ATOM 205 O MET A 70 1.874 -5.295 -3.948 1.00 0.00 O ATOM 206 CB MET A 70 -0.876 -3.534 -2.861 1.00 0.00 C ATOM 207 CG MET A 70 -1.309 -2.091 -3.139 1.00 0.00 C ATOM 208 SD MET A 70 -1.708 -1.270 -1.575 1.00 0.00 S ATOM 209 CE MET A 70 -3.124 -2.303 -1.128 1.00 0.00 C ATOM 0 H MET A 70 -2.188 -4.630 -4.657 1.00 0.00 H new ATOM 0 HA MET A 70 0.386 -3.371 -4.599 1.00 0.00 H new ATOM 0 HB2 MET A 70 -1.739 -4.132 -2.569 1.00 0.00 H new ATOM 0 HB3 MET A 70 -0.175 -3.558 -2.027 1.00 0.00 H new ATOM 0 HG2 MET A 70 -0.512 -1.553 -3.652 1.00 0.00 H new ATOM 0 HG3 MET A 70 -2.176 -2.081 -3.799 1.00 0.00 H new ATOM 0 HE1 MET A 70 -3.672 -1.835 -0.310 1.00 0.00 H new ATOM 0 HE2 MET A 70 -3.782 -2.412 -1.990 1.00 0.00 H new ATOM 0 HE3 MET A 70 -2.773 -3.286 -0.814 1.00 0.00 H new ATOM 219 N SER A 71 0.056 -6.315 -3.100 1.00 0.00 N ATOM 220 CA SER A 71 0.796 -7.493 -2.663 1.00 0.00 C ATOM 221 C SER A 71 1.768 -7.961 -3.742 1.00 0.00 C ATOM 222 O SER A 71 2.955 -8.157 -3.473 1.00 0.00 O ATOM 223 CB SER A 71 -0.176 -8.621 -2.323 1.00 0.00 C ATOM 224 OG SER A 71 0.528 -9.855 -2.295 1.00 0.00 O ATOM 0 H SER A 71 -0.943 -6.342 -2.898 1.00 0.00 H new ATOM 0 HA SER A 71 1.369 -7.224 -1.776 1.00 0.00 H new ATOM 0 HB2 SER A 71 -0.644 -8.434 -1.357 1.00 0.00 H new ATOM 0 HB3 SER A 71 -0.976 -8.662 -3.062 1.00 0.00 H new ATOM 0 HG SER A 71 -0.093 -10.581 -2.076 1.00 0.00 H new ATOM 230 N GLU A 72 1.267 -8.145 -4.960 1.00 0.00 N ATOM 231 CA GLU A 72 2.120 -8.598 -6.052 1.00 0.00 C ATOM 232 C GLU A 72 3.180 -7.547 -6.373 1.00 0.00 C ATOM 233 O GLU A 72 4.339 -7.885 -6.612 1.00 0.00 O ATOM 234 CB GLU A 72 1.281 -8.900 -7.297 1.00 0.00 C ATOM 235 CG GLU A 72 0.744 -7.600 -7.890 1.00 0.00 C ATOM 236 CD GLU A 72 -0.285 -7.906 -8.972 1.00 0.00 C ATOM 237 OE1 GLU A 72 -1.071 -8.818 -8.775 1.00 0.00 O ATOM 238 OE2 GLU A 72 -0.272 -7.222 -9.983 1.00 0.00 O ATOM 0 H GLU A 72 0.291 -7.990 -5.213 1.00 0.00 H new ATOM 0 HA GLU A 72 2.621 -9.514 -5.739 1.00 0.00 H new ATOM 0 HB2 GLU A 72 1.887 -9.424 -8.036 1.00 0.00 H new ATOM 0 HB3 GLU A 72 0.454 -9.560 -7.037 1.00 0.00 H new ATOM 0 HG2 GLU A 72 0.290 -6.993 -7.106 1.00 0.00 H new ATOM 0 HG3 GLU A 72 1.563 -7.017 -8.310 1.00 0.00 H new ATOM 245 N PHE A 73 2.790 -6.273 -6.371 1.00 0.00 N ATOM 246 CA PHE A 73 3.743 -5.204 -6.656 1.00 0.00 C ATOM 247 C PHE A 73 4.988 -5.378 -5.789 1.00 0.00 C ATOM 248 O PHE A 73 6.110 -5.151 -6.243 1.00 0.00 O ATOM 249 CB PHE A 73 3.106 -3.832 -6.381 1.00 0.00 C ATOM 250 CG PHE A 73 2.817 -3.117 -7.684 1.00 0.00 C ATOM 251 CD1 PHE A 73 2.092 -3.763 -8.691 1.00 0.00 C ATOM 252 CD2 PHE A 73 3.275 -1.808 -7.881 1.00 0.00 C ATOM 253 CE1 PHE A 73 1.822 -3.101 -9.895 1.00 0.00 C ATOM 254 CE2 PHE A 73 3.006 -1.146 -9.085 1.00 0.00 C ATOM 255 CZ PHE A 73 2.280 -1.792 -10.093 1.00 0.00 C ATOM 0 H PHE A 73 1.838 -5.960 -6.179 1.00 0.00 H new ATOM 0 HA PHE A 73 4.024 -5.256 -7.708 1.00 0.00 H new ATOM 0 HB2 PHE A 73 2.183 -3.959 -5.815 1.00 0.00 H new ATOM 0 HB3 PHE A 73 3.776 -3.229 -5.768 1.00 0.00 H new ATOM 0 HD1 PHE A 73 1.740 -4.773 -8.540 1.00 0.00 H new ATOM 0 HD2 PHE A 73 3.836 -1.309 -7.104 1.00 0.00 H new ATOM 0 HE1 PHE A 73 1.261 -3.600 -10.671 1.00 0.00 H new ATOM 0 HE2 PHE A 73 3.359 -0.136 -9.236 1.00 0.00 H new ATOM 0 HZ PHE A 73 2.073 -1.282 -11.022 1.00 0.00 H new ATOM 265 N LEU A 74 4.782 -5.785 -4.540 1.00 0.00 N ATOM 266 CA LEU A 74 5.900 -5.991 -3.624 1.00 0.00 C ATOM 267 C LEU A 74 6.598 -7.311 -3.932 1.00 0.00 C ATOM 268 O LEU A 74 7.817 -7.427 -3.805 1.00 0.00 O ATOM 269 CB LEU A 74 5.405 -6.011 -2.175 1.00 0.00 C ATOM 270 CG LEU A 74 4.488 -4.813 -1.920 1.00 0.00 C ATOM 271 CD1 LEU A 74 4.113 -4.765 -0.438 1.00 0.00 C ATOM 272 CD2 LEU A 74 5.213 -3.519 -2.303 1.00 0.00 C ATOM 0 H LEU A 74 3.863 -5.977 -4.142 1.00 0.00 H new ATOM 0 HA LEU A 74 6.604 -5.169 -3.754 1.00 0.00 H new ATOM 0 HB2 LEU A 74 4.868 -6.939 -1.978 1.00 0.00 H new ATOM 0 HB3 LEU A 74 6.254 -5.982 -1.491 1.00 0.00 H new ATOM 0 HG LEU A 74 3.585 -4.915 -2.523 1.00 0.00 H new ATOM 0 HD11 LEU A 74 3.460 -3.912 -0.255 1.00 0.00 H new ATOM 0 HD12 LEU A 74 3.595 -5.684 -0.164 1.00 0.00 H new ATOM 0 HD13 LEU A 74 5.017 -4.665 0.163 1.00 0.00 H new ATOM 0 HD21 LEU A 74 4.558 -2.667 -2.121 1.00 0.00 H new ATOM 0 HD22 LEU A 74 6.117 -3.417 -1.702 1.00 0.00 H new ATOM 0 HD23 LEU A 74 5.481 -3.551 -3.359 1.00 0.00 H new ATOM 284 N SER A 75 5.813 -8.308 -4.331 1.00 0.00 N ATOM 285 CA SER A 75 6.360 -9.622 -4.649 1.00 0.00 C ATOM 286 C SER A 75 7.259 -9.561 -5.881 1.00 0.00 C ATOM 287 O SER A 75 8.251 -10.283 -5.971 1.00 0.00 O ATOM 288 CB SER A 75 5.222 -10.612 -4.898 1.00 0.00 C ATOM 289 OG SER A 75 5.732 -11.938 -4.837 1.00 0.00 O ATOM 0 H SER A 75 4.802 -8.231 -4.441 1.00 0.00 H new ATOM 0 HA SER A 75 6.959 -9.953 -3.800 1.00 0.00 H new ATOM 0 HB2 SER A 75 4.438 -10.477 -4.153 1.00 0.00 H new ATOM 0 HB3 SER A 75 4.771 -10.428 -5.873 1.00 0.00 H new ATOM 0 HG SER A 75 5.005 -12.576 -4.995 1.00 0.00 H new ATOM 295 N ARG A 76 6.906 -8.700 -6.834 1.00 0.00 N ATOM 296 CA ARG A 76 7.693 -8.565 -8.056 1.00 0.00 C ATOM 297 C ARG A 76 8.723 -7.451 -7.920 1.00 0.00 C ATOM 298 O ARG A 76 9.815 -7.529 -8.481 1.00 0.00 O ATOM 299 CB ARG A 76 6.776 -8.277 -9.241 1.00 0.00 C ATOM 300 CG ARG A 76 5.976 -6.996 -8.985 1.00 0.00 C ATOM 301 CD ARG A 76 6.350 -5.938 -10.026 1.00 0.00 C ATOM 302 NE ARG A 76 5.482 -4.773 -9.903 1.00 0.00 N ATOM 303 CZ ARG A 76 5.586 -3.748 -10.743 1.00 0.00 C ATOM 304 NH1 ARG A 76 6.473 -3.775 -11.700 1.00 0.00 N ATOM 305 NH2 ARG A 76 4.798 -2.716 -10.611 1.00 0.00 N ATOM 0 H ARG A 76 6.089 -8.092 -6.784 1.00 0.00 H new ATOM 0 HA ARG A 76 8.220 -9.504 -8.226 1.00 0.00 H new ATOM 0 HB2 ARG A 76 7.367 -8.171 -10.151 1.00 0.00 H new ATOM 0 HB3 ARG A 76 6.097 -9.115 -9.398 1.00 0.00 H new ATOM 0 HG2 ARG A 76 4.908 -7.207 -9.034 1.00 0.00 H new ATOM 0 HG3 ARG A 76 6.181 -6.622 -7.982 1.00 0.00 H new ATOM 0 HD2 ARG A 76 7.390 -5.640 -9.893 1.00 0.00 H new ATOM 0 HD3 ARG A 76 6.265 -6.359 -11.028 1.00 0.00 H new ATOM 0 HE ARG A 76 4.784 -4.744 -9.160 1.00 0.00 H new ATOM 0 HH11 ARG A 76 7.087 -4.583 -11.804 1.00 0.00 H new ATOM 0 HH12 ARG A 76 6.552 -2.988 -12.344 1.00 0.00 H new ATOM 0 HH21 ARG A 76 4.104 -2.697 -9.864 1.00 0.00 H new ATOM 0 HH22 ARG A 76 4.877 -1.929 -11.255 1.00 0.00 H new ATOM 526 N TYR A 92 9.925 9.066 5.275 1.00 0.00 N ATOM 527 CA TYR A 92 8.869 9.572 4.403 1.00 0.00 C ATOM 528 C TYR A 92 7.498 9.145 4.921 1.00 0.00 C ATOM 529 O TYR A 92 7.147 7.965 4.878 1.00 0.00 O ATOM 530 CB TYR A 92 9.066 9.030 2.982 1.00 0.00 C ATOM 531 CG TYR A 92 10.028 9.916 2.226 1.00 0.00 C ATOM 532 CD1 TYR A 92 9.574 11.111 1.653 1.00 0.00 C ATOM 533 CD2 TYR A 92 11.370 9.543 2.095 1.00 0.00 C ATOM 534 CE1 TYR A 92 10.464 11.932 0.950 1.00 0.00 C ATOM 535 CE2 TYR A 92 12.258 10.363 1.391 1.00 0.00 C ATOM 536 CZ TYR A 92 11.807 11.557 0.818 1.00 0.00 C ATOM 537 OH TYR A 92 12.684 12.366 0.124 1.00 0.00 O ATOM 0 HA TYR A 92 8.921 10.661 4.392 1.00 0.00 H new ATOM 0 HB2 TYR A 92 9.450 8.011 3.022 1.00 0.00 H new ATOM 0 HB3 TYR A 92 8.109 8.990 2.462 1.00 0.00 H new ATOM 0 HD1 TYR A 92 8.538 11.399 1.753 1.00 0.00 H new ATOM 0 HD2 TYR A 92 11.720 8.622 2.537 1.00 0.00 H new ATOM 0 HE1 TYR A 92 10.115 12.854 0.510 1.00 0.00 H new ATOM 0 HE2 TYR A 92 13.294 10.074 1.290 1.00 0.00 H new ATOM 0 HH TYR A 92 13.248 11.814 -0.457 1.00 0.00 H new ATOM 547 N ASP A 93 6.724 10.113 5.401 1.00 0.00 N ATOM 548 CA ASP A 93 5.388 9.826 5.914 1.00 0.00 C ATOM 549 C ASP A 93 4.345 10.103 4.838 1.00 0.00 C ATOM 550 O ASP A 93 3.900 11.238 4.669 1.00 0.00 O ATOM 551 CB ASP A 93 5.102 10.692 7.141 1.00 0.00 C ATOM 552 CG ASP A 93 5.498 12.138 6.864 1.00 0.00 C ATOM 553 OD1 ASP A 93 6.679 12.433 6.936 1.00 0.00 O ATOM 554 OD2 ASP A 93 4.614 12.930 6.581 1.00 0.00 O ATOM 0 H ASP A 93 6.995 11.095 5.446 1.00 0.00 H new ATOM 0 HA ASP A 93 5.339 8.775 6.198 1.00 0.00 H new ATOM 0 HB2 ASP A 93 4.043 10.639 7.395 1.00 0.00 H new ATOM 0 HB3 ASP A 93 5.655 10.313 8.000 1.00 0.00 H new ATOM 559 N LEU A 94 3.960 9.059 4.110 1.00 0.00 N ATOM 560 CA LEU A 94 2.970 9.203 3.047 1.00 0.00 C ATOM 561 C LEU A 94 1.581 8.822 3.554 1.00 0.00 C ATOM 562 O LEU A 94 0.730 8.377 2.782 1.00 0.00 O ATOM 563 CB LEU A 94 3.338 8.311 1.857 1.00 0.00 C ATOM 564 CG LEU A 94 4.846 8.380 1.598 1.00 0.00 C ATOM 565 CD1 LEU A 94 5.214 7.410 0.470 1.00 0.00 C ATOM 566 CD2 LEU A 94 5.228 9.805 1.188 1.00 0.00 C ATOM 0 H LEU A 94 4.315 8.111 4.235 1.00 0.00 H new ATOM 0 HA LEU A 94 2.960 10.246 2.729 1.00 0.00 H new ATOM 0 HB2 LEU A 94 3.042 7.281 2.058 1.00 0.00 H new ATOM 0 HB3 LEU A 94 2.793 8.632 0.969 1.00 0.00 H new ATOM 0 HG LEU A 94 5.384 8.105 2.505 1.00 0.00 H new ATOM 0 HD11 LEU A 94 6.287 7.458 0.284 1.00 0.00 H new ATOM 0 HD12 LEU A 94 4.941 6.395 0.759 1.00 0.00 H new ATOM 0 HD13 LEU A 94 4.676 7.686 -0.437 1.00 0.00 H new ATOM 0 HD21 LEU A 94 6.301 9.855 1.003 1.00 0.00 H new ATOM 0 HD22 LEU A 94 4.690 10.079 0.280 1.00 0.00 H new ATOM 0 HD23 LEU A 94 4.965 10.497 1.988 1.00 0.00 H new ATOM 578 N SER A 95 1.360 8.995 4.852 1.00 0.00 N ATOM 579 CA SER A 95 0.073 8.661 5.451 1.00 0.00 C ATOM 580 C SER A 95 -1.038 9.520 4.855 1.00 0.00 C ATOM 581 O SER A 95 -2.223 9.253 5.062 1.00 0.00 O ATOM 582 CB SER A 95 0.128 8.875 6.963 1.00 0.00 C ATOM 583 OG SER A 95 -1.187 8.789 7.499 1.00 0.00 O ATOM 0 H SER A 95 2.051 9.362 5.507 1.00 0.00 H new ATOM 0 HA SER A 95 -0.141 7.613 5.240 1.00 0.00 H new ATOM 0 HB2 SER A 95 0.771 8.125 7.425 1.00 0.00 H new ATOM 0 HB3 SER A 95 0.562 9.849 7.188 1.00 0.00 H new ATOM 0 HG SER A 95 -1.831 8.674 6.769 1.00 0.00 H new ATOM 589 N LYS A 96 -0.650 10.555 4.114 1.00 0.00 N ATOM 590 CA LYS A 96 -1.621 11.452 3.494 1.00 0.00 C ATOM 591 C LYS A 96 -1.809 11.099 2.023 1.00 0.00 C ATOM 592 O LYS A 96 -2.578 11.746 1.311 1.00 0.00 O ATOM 593 CB LYS A 96 -1.143 12.903 3.612 1.00 0.00 C ATOM 594 CG LYS A 96 -0.781 13.215 5.068 1.00 0.00 C ATOM 595 CD LYS A 96 -2.056 13.469 5.877 1.00 0.00 C ATOM 596 CE LYS A 96 -1.683 13.987 7.267 1.00 0.00 C ATOM 597 NZ LYS A 96 -0.894 15.243 7.134 1.00 0.00 N ATOM 0 H LYS A 96 0.325 10.792 3.929 1.00 0.00 H new ATOM 0 HA LYS A 96 -2.574 11.339 4.011 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -0.277 13.063 2.970 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -1.924 13.582 3.269 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -0.225 12.383 5.500 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -0.132 14.089 5.111 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -2.687 14.195 5.364 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -2.634 12.549 5.963 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -2.584 14.171 7.852 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -1.103 13.236 7.803 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -1.201 15.924 7.858 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 0.117 15.033 7.262 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -1.046 15.650 6.189 1.00 0.00 H new ATOM 611 N TRP A 97 -1.097 10.071 1.571 1.00 0.00 N ATOM 612 CA TRP A 97 -1.187 9.639 0.179 1.00 0.00 C ATOM 613 C TRP A 97 -2.206 8.514 0.030 1.00 0.00 C ATOM 614 O TRP A 97 -2.315 7.643 0.893 1.00 0.00 O ATOM 615 CB TRP A 97 0.179 9.149 -0.303 1.00 0.00 C ATOM 616 CG TRP A 97 1.150 10.286 -0.318 1.00 0.00 C ATOM 617 CD1 TRP A 97 1.460 11.061 0.746 1.00 0.00 C ATOM 618 CD2 TRP A 97 1.946 10.785 -1.432 1.00 0.00 C ATOM 619 NE1 TRP A 97 2.395 12.001 0.358 1.00 0.00 N ATOM 620 CE2 TRP A 97 2.726 11.873 -0.975 1.00 0.00 C ATOM 621 CE3 TRP A 97 2.064 10.402 -2.780 1.00 0.00 C ATOM 622 CZ2 TRP A 97 3.595 12.557 -1.827 1.00 0.00 C ATOM 623 CZ3 TRP A 97 2.938 11.090 -3.639 1.00 0.00 C ATOM 624 CH2 TRP A 97 3.702 12.165 -3.163 1.00 0.00 C ATOM 0 H TRP A 97 -0.455 9.524 2.144 1.00 0.00 H new ATOM 0 HA TRP A 97 -1.507 10.489 -0.424 1.00 0.00 H new ATOM 0 HB2 TRP A 97 0.543 8.357 0.352 1.00 0.00 H new ATOM 0 HB3 TRP A 97 0.090 8.722 -1.302 1.00 0.00 H new ATOM 0 HD1 TRP A 97 1.044 10.961 1.738 1.00 0.00 H new ATOM 0 HE1 TRP A 97 2.792 12.704 0.981 1.00 0.00 H new ATOM 0 HE3 TRP A 97 1.480 9.575 -3.157 1.00 0.00 H new ATOM 0 HZ2 TRP A 97 4.181 13.384 -1.455 1.00 0.00 H new ATOM 0 HZ3 TRP A 97 3.022 10.789 -4.673 1.00 0.00 H new ATOM 0 HH2 TRP A 97 4.372 12.689 -3.828 1.00 0.00 H new ATOM 635 N LYS A 98 -2.945 8.535 -1.075 1.00 0.00 N ATOM 636 CA LYS A 98 -3.949 7.506 -1.333 1.00 0.00 C ATOM 637 C LYS A 98 -3.357 6.398 -2.200 1.00 0.00 C ATOM 638 O LYS A 98 -2.355 6.602 -2.885 1.00 0.00 O ATOM 639 CB LYS A 98 -5.163 8.120 -2.038 1.00 0.00 C ATOM 640 CG LYS A 98 -5.414 9.528 -1.497 1.00 0.00 C ATOM 641 CD LYS A 98 -5.600 9.468 0.021 1.00 0.00 C ATOM 642 CE LYS A 98 -6.202 10.786 0.514 1.00 0.00 C ATOM 643 NZ LYS A 98 -6.449 10.699 1.982 1.00 0.00 N ATOM 0 H LYS A 98 -2.869 9.247 -1.802 1.00 0.00 H new ATOM 0 HA LYS A 98 -4.266 7.082 -0.380 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -4.990 8.158 -3.114 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -6.043 7.496 -1.878 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -4.576 10.179 -1.746 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -6.300 9.956 -1.966 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -6.253 8.636 0.285 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -4.642 9.289 0.509 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -5.525 11.612 0.296 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -7.135 10.992 -0.011 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -6.858 11.594 2.319 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -7.111 9.921 2.177 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -5.551 10.522 2.475 1.00 0.00 H new ATOM 657 N TYR A 99 -3.983 5.228 -2.165 1.00 0.00 N ATOM 658 CA TYR A 99 -3.508 4.095 -2.952 1.00 0.00 C ATOM 659 C TYR A 99 -3.195 4.530 -4.383 1.00 0.00 C ATOM 660 O TYR A 99 -2.202 4.097 -4.969 1.00 0.00 O ATOM 661 CB TYR A 99 -4.571 2.991 -2.965 1.00 0.00 C ATOM 662 CG TYR A 99 -4.245 1.975 -4.037 1.00 0.00 C ATOM 663 CD1 TYR A 99 -3.012 1.310 -4.020 1.00 0.00 C ATOM 664 CD2 TYR A 99 -5.175 1.699 -5.048 1.00 0.00 C ATOM 665 CE1 TYR A 99 -2.710 0.370 -5.013 1.00 0.00 C ATOM 666 CE2 TYR A 99 -4.872 0.758 -6.041 1.00 0.00 C ATOM 667 CZ TYR A 99 -3.639 0.095 -6.023 1.00 0.00 C ATOM 668 OH TYR A 99 -3.341 -0.833 -7.000 1.00 0.00 O ATOM 0 H TYR A 99 -4.814 5.039 -1.605 1.00 0.00 H new ATOM 0 HA TYR A 99 -2.594 3.713 -2.497 1.00 0.00 H new ATOM 0 HB2 TYR A 99 -4.614 2.504 -1.991 1.00 0.00 H new ATOM 0 HB3 TYR A 99 -5.555 3.423 -3.149 1.00 0.00 H new ATOM 0 HD1 TYR A 99 -2.295 1.522 -3.241 1.00 0.00 H new ATOM 0 HD2 TYR A 99 -6.125 2.212 -5.062 1.00 0.00 H new ATOM 0 HE1 TYR A 99 -1.760 -0.143 -4.999 1.00 0.00 H new ATOM 0 HE2 TYR A 99 -5.589 0.544 -6.820 1.00 0.00 H new ATOM 0 HH TYR A 99 -4.094 -0.905 -7.623 1.00 0.00 H new ATOM 678 N ALA A 100 -4.050 5.382 -4.940 1.00 0.00 N ATOM 679 CA ALA A 100 -3.861 5.863 -6.303 1.00 0.00 C ATOM 680 C ALA A 100 -2.621 6.747 -6.403 1.00 0.00 C ATOM 681 O ALA A 100 -1.876 6.681 -7.383 1.00 0.00 O ATOM 682 CB ALA A 100 -5.090 6.656 -6.750 1.00 0.00 C ATOM 0 H ALA A 100 -4.877 5.752 -4.471 1.00 0.00 H new ATOM 0 HA ALA A 100 -3.725 4.999 -6.953 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -4.942 7.012 -7.769 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -5.970 6.014 -6.714 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -5.235 7.508 -6.085 1.00 0.00 H new ATOM 688 N GLU A 101 -2.403 7.577 -5.390 1.00 0.00 N ATOM 689 CA GLU A 101 -1.251 8.469 -5.385 1.00 0.00 C ATOM 690 C GLU A 101 0.043 7.672 -5.263 1.00 0.00 C ATOM 691 O GLU A 101 0.992 7.895 -6.014 1.00 0.00 O ATOM 692 CB GLU A 101 -1.358 9.460 -4.224 1.00 0.00 C ATOM 693 CG GLU A 101 -2.645 10.277 -4.365 1.00 0.00 C ATOM 694 CD GLU A 101 -2.544 11.557 -3.543 1.00 0.00 C ATOM 695 OE1 GLU A 101 -2.492 11.457 -2.328 1.00 0.00 O ATOM 696 OE2 GLU A 101 -2.522 12.621 -4.142 1.00 0.00 O ATOM 0 H GLU A 101 -3.003 7.651 -4.568 1.00 0.00 H new ATOM 0 HA GLU A 101 -1.238 9.018 -6.326 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -1.357 8.925 -3.274 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -0.493 10.123 -4.217 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -2.817 10.521 -5.413 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -3.498 9.687 -4.031 1.00 0.00 H new ATOM 703 N LEU A 102 0.076 6.744 -4.314 1.00 0.00 N ATOM 704 CA LEU A 102 1.261 5.920 -4.105 1.00 0.00 C ATOM 705 C LEU A 102 1.605 5.137 -5.370 1.00 0.00 C ATOM 706 O LEU A 102 2.663 5.340 -5.968 1.00 0.00 O ATOM 707 CB LEU A 102 1.024 4.949 -2.947 1.00 0.00 C ATOM 708 CG LEU A 102 0.764 5.734 -1.657 1.00 0.00 C ATOM 709 CD1 LEU A 102 0.276 4.775 -0.569 1.00 0.00 C ATOM 710 CD2 LEU A 102 2.056 6.418 -1.192 1.00 0.00 C ATOM 0 H LEU A 102 -0.698 6.544 -3.681 1.00 0.00 H new ATOM 0 HA LEU A 102 2.097 6.576 -3.863 1.00 0.00 H new ATOM 0 HB2 LEU A 102 0.174 4.304 -3.169 1.00 0.00 H new ATOM 0 HB3 LEU A 102 1.891 4.301 -2.821 1.00 0.00 H new ATOM 0 HG LEU A 102 0.005 6.493 -1.846 1.00 0.00 H new ATOM 0 HD11 LEU A 102 0.090 5.331 0.350 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -0.646 4.294 -0.895 1.00 0.00 H new ATOM 0 HD13 LEU A 102 1.036 4.015 -0.386 1.00 0.00 H new ATOM 0 HD21 LEU A 102 1.863 6.974 -0.275 1.00 0.00 H new ATOM 0 HD22 LEU A 102 2.820 5.664 -1.005 1.00 0.00 H new ATOM 0 HD23 LEU A 102 2.404 7.103 -1.965 1.00 0.00 H new ATOM 722 N ARG A 103 0.707 4.240 -5.772 1.00 0.00 N ATOM 723 CA ARG A 103 0.932 3.434 -6.965 1.00 0.00 C ATOM 724 C ARG A 103 1.330 4.320 -8.144 1.00 0.00 C ATOM 725 O ARG A 103 2.207 3.968 -8.935 1.00 0.00 O ATOM 726 CB ARG A 103 -0.331 2.640 -7.313 1.00 0.00 C ATOM 727 CG ARG A 103 -1.407 3.587 -7.843 1.00 0.00 C ATOM 728 CD ARG A 103 -2.734 2.834 -7.969 1.00 0.00 C ATOM 729 NE ARG A 103 -3.638 3.552 -8.860 1.00 0.00 N ATOM 730 CZ ARG A 103 -4.657 2.934 -9.450 1.00 0.00 C ATOM 731 NH1 ARG A 103 -4.863 1.664 -9.235 1.00 0.00 N ATOM 732 NH2 ARG A 103 -5.450 3.599 -10.246 1.00 0.00 N ATOM 0 H ARG A 103 -0.174 4.056 -5.293 1.00 0.00 H new ATOM 0 HA ARG A 103 1.745 2.738 -6.761 1.00 0.00 H new ATOM 0 HB2 ARG A 103 -0.100 1.881 -8.061 1.00 0.00 H new ATOM 0 HB3 ARG A 103 -0.697 2.116 -6.430 1.00 0.00 H new ATOM 0 HG2 ARG A 103 -1.522 4.437 -7.170 1.00 0.00 H new ATOM 0 HG3 ARG A 103 -1.110 3.986 -8.813 1.00 0.00 H new ATOM 0 HD2 ARG A 103 -2.555 1.829 -8.353 1.00 0.00 H new ATOM 0 HD3 ARG A 103 -3.192 2.723 -6.986 1.00 0.00 H new ATOM 0 HE ARG A 103 -3.486 4.546 -9.034 1.00 0.00 H new ATOM 0 HH11 ARG A 103 -4.242 1.145 -8.614 1.00 0.00 H new ATOM 0 HH12 ARG A 103 -5.645 1.190 -9.688 1.00 0.00 H new ATOM 0 HH21 ARG A 103 -5.288 4.592 -10.415 1.00 0.00 H new ATOM 0 HH22 ARG A 103 -6.232 3.126 -10.699 1.00 0.00 H new ATOM 746 N ASP A 104 0.680 5.473 -8.254 1.00 0.00 N ATOM 747 CA ASP A 104 0.974 6.402 -9.339 1.00 0.00 C ATOM 748 C ASP A 104 2.412 6.902 -9.241 1.00 0.00 C ATOM 749 O ASP A 104 3.177 6.818 -10.200 1.00 0.00 O ATOM 750 CB ASP A 104 0.013 7.588 -9.284 1.00 0.00 C ATOM 751 CG ASP A 104 0.414 8.637 -10.316 1.00 0.00 C ATOM 752 OD1 ASP A 104 1.474 9.218 -10.160 1.00 0.00 O ATOM 753 OD2 ASP A 104 -0.346 8.842 -11.248 1.00 0.00 O ATOM 0 H ASP A 104 -0.048 5.785 -7.611 1.00 0.00 H new ATOM 0 HA ASP A 104 0.849 5.878 -10.286 1.00 0.00 H new ATOM 0 HB2 ASP A 104 -1.005 7.250 -9.475 1.00 0.00 H new ATOM 0 HB3 ASP A 104 0.021 8.027 -8.286 1.00 0.00 H new ATOM 758 N THR A 105 2.768 7.428 -8.075 1.00 0.00 N ATOM 759 CA THR A 105 4.112 7.945 -7.861 1.00 0.00 C ATOM 760 C THR A 105 5.159 6.940 -8.330 1.00 0.00 C ATOM 761 O THR A 105 5.974 7.242 -9.201 1.00 0.00 O ATOM 762 CB THR A 105 4.324 8.254 -6.375 1.00 0.00 C ATOM 763 OG1 THR A 105 3.123 8.778 -5.829 1.00 0.00 O ATOM 764 CG2 THR A 105 5.447 9.283 -6.215 1.00 0.00 C ATOM 0 H THR A 105 2.148 7.507 -7.269 1.00 0.00 H new ATOM 0 HA THR A 105 4.223 8.861 -8.442 1.00 0.00 H new ATOM 0 HB THR A 105 4.598 7.338 -5.851 1.00 0.00 H new ATOM 0 HG1 THR A 105 2.564 8.042 -5.503 1.00 0.00 H new ATOM 0 HG21 THR A 105 5.594 9.500 -5.157 1.00 0.00 H new ATOM 0 HG22 THR A 105 6.370 8.883 -6.635 1.00 0.00 H new ATOM 0 HG23 THR A 105 5.178 10.200 -6.739 1.00 0.00 H new ATOM 772 N ILE A 106 5.137 5.744 -7.746 1.00 0.00 N ATOM 773 CA ILE A 106 6.099 4.713 -8.116 1.00 0.00 C ATOM 774 C ILE A 106 5.992 4.373 -9.598 1.00 0.00 C ATOM 775 O ILE A 106 6.978 3.982 -10.224 1.00 0.00 O ATOM 776 CB ILE A 106 5.871 3.455 -7.278 1.00 0.00 C ATOM 777 CG1 ILE A 106 4.480 2.891 -7.560 1.00 0.00 C ATOM 778 CG2 ILE A 106 5.980 3.810 -5.794 1.00 0.00 C ATOM 779 CD1 ILE A 106 4.266 1.638 -6.711 1.00 0.00 C ATOM 0 H ILE A 106 4.472 5.468 -7.024 1.00 0.00 H new ATOM 0 HA ILE A 106 7.100 5.099 -7.922 1.00 0.00 H new ATOM 0 HB ILE A 106 6.622 2.709 -7.536 1.00 0.00 H new ATOM 0 HG12 ILE A 106 3.718 3.636 -7.329 1.00 0.00 H new ATOM 0 HG13 ILE A 106 4.380 2.650 -8.618 1.00 0.00 H new ATOM 0 HG21 ILE A 106 5.818 2.915 -5.193 1.00 0.00 H new ATOM 0 HG22 ILE A 106 6.972 4.211 -5.588 1.00 0.00 H new ATOM 0 HG23 ILE A 106 5.227 4.557 -5.542 1.00 0.00 H new ATOM 0 HD11 ILE A 106 3.274 1.230 -6.908 1.00 0.00 H new ATOM 0 HD12 ILE A 106 5.021 0.894 -6.964 1.00 0.00 H new ATOM 0 HD13 ILE A 106 4.350 1.895 -5.655 1.00 0.00 H new ATOM 791 N ASN A 107 4.795 4.519 -10.156 1.00 0.00 N ATOM 792 CA ASN A 107 4.590 4.216 -11.566 1.00 0.00 C ATOM 793 C ASN A 107 5.291 5.248 -12.451 1.00 0.00 C ATOM 794 O ASN A 107 5.690 4.940 -13.574 1.00 0.00 O ATOM 795 CB ASN A 107 3.090 4.201 -11.875 1.00 0.00 C ATOM 796 CG ASN A 107 2.565 2.767 -11.894 1.00 0.00 C ATOM 797 OD1 ASN A 107 3.087 1.924 -12.624 1.00 0.00 O ATOM 798 ND2 ASN A 107 1.560 2.440 -11.129 1.00 0.00 N ATOM 0 H ASN A 107 3.963 4.841 -9.661 1.00 0.00 H new ATOM 0 HA ASN A 107 5.017 3.236 -11.777 1.00 0.00 H new ATOM 0 HB2 ASN A 107 2.552 4.782 -11.126 1.00 0.00 H new ATOM 0 HB3 ASN A 107 2.906 4.675 -12.839 1.00 0.00 H new ATOM 0 HD21 ASN A 107 1.205 1.484 -11.135 1.00 0.00 H new ATOM 0 HD22 ASN A 107 1.130 3.140 -10.525 1.00 0.00 H new ATOM 805 N THR A 108 5.433 6.471 -11.943 1.00 0.00 N ATOM 806 CA THR A 108 6.084 7.532 -12.709 1.00 0.00 C ATOM 807 C THR A 108 7.089 8.293 -11.848 1.00 0.00 C ATOM 808 O THR A 108 7.152 9.522 -11.894 1.00 0.00 O ATOM 809 CB THR A 108 5.035 8.507 -13.251 1.00 0.00 C ATOM 810 OG1 THR A 108 5.683 9.673 -13.740 1.00 0.00 O ATOM 811 CG2 THR A 108 4.060 8.896 -12.136 1.00 0.00 C ATOM 0 H THR A 108 5.111 6.750 -11.016 1.00 0.00 H new ATOM 0 HA THR A 108 6.618 7.069 -13.539 1.00 0.00 H new ATOM 0 HB THR A 108 4.483 8.027 -14.059 1.00 0.00 H new ATOM 0 HG1 THR A 108 6.111 10.146 -12.996 1.00 0.00 H new ATOM 0 HG21 THR A 108 3.316 9.590 -12.528 1.00 0.00 H new ATOM 0 HG22 THR A 108 3.561 8.003 -11.761 1.00 0.00 H new ATOM 0 HG23 THR A 108 4.608 9.373 -11.323 1.00 0.00 H new ATOM 819 N SER A 109 7.878 7.558 -11.068 1.00 0.00 N ATOM 820 CA SER A 109 8.886 8.177 -10.205 1.00 0.00 C ATOM 821 C SER A 109 10.260 7.574 -10.471 1.00 0.00 C ATOM 822 O SER A 109 10.401 6.653 -11.276 1.00 0.00 O ATOM 823 CB SER A 109 8.516 7.974 -8.737 1.00 0.00 C ATOM 824 OG SER A 109 9.642 8.281 -7.925 1.00 0.00 O ATOM 0 H SER A 109 7.841 6.540 -11.014 1.00 0.00 H new ATOM 0 HA SER A 109 8.919 9.244 -10.426 1.00 0.00 H new ATOM 0 HB2 SER A 109 7.675 8.613 -8.470 1.00 0.00 H new ATOM 0 HB3 SER A 109 8.200 6.944 -8.568 1.00 0.00 H new ATOM 0 HG SER A 109 9.409 8.154 -6.982 1.00 0.00 H new ATOM 830 N CYS A 110 11.273 8.102 -9.789 1.00 0.00 N ATOM 831 CA CYS A 110 12.636 7.610 -9.959 1.00 0.00 C ATOM 832 C CYS A 110 13.455 7.848 -8.694 1.00 0.00 C ATOM 833 O CYS A 110 14.684 7.895 -8.739 1.00 0.00 O ATOM 834 CB CYS A 110 13.303 8.319 -11.140 1.00 0.00 C ATOM 835 SG CYS A 110 14.899 7.539 -11.489 1.00 0.00 S ATOM 0 H CYS A 110 11.177 8.865 -9.119 1.00 0.00 H new ATOM 0 HA CYS A 110 12.593 6.538 -10.154 1.00 0.00 H new ATOM 0 HB2 CYS A 110 12.661 8.267 -12.019 1.00 0.00 H new ATOM 0 HB3 CYS A 110 13.445 9.375 -10.911 1.00 0.00 H new ATOM 0 HG CYS A 110 15.521 7.305 -10.372 1.00 0.00 H new ATOM 841 N ASP A 111 12.765 7.992 -7.566 1.00 0.00 N ATOM 842 CA ASP A 111 13.438 8.219 -6.290 1.00 0.00 C ATOM 843 C ASP A 111 13.475 6.926 -5.480 1.00 0.00 C ATOM 844 O ASP A 111 12.437 6.364 -5.141 1.00 0.00 O ATOM 845 CB ASP A 111 12.705 9.313 -5.501 1.00 0.00 C ATOM 846 CG ASP A 111 13.336 10.676 -5.777 1.00 0.00 C ATOM 847 OD1 ASP A 111 14.538 10.795 -5.606 1.00 0.00 O ATOM 848 OD2 ASP A 111 12.608 11.578 -6.156 1.00 0.00 O ATOM 0 H ASP A 111 11.747 7.956 -7.509 1.00 0.00 H new ATOM 0 HA ASP A 111 14.461 8.544 -6.481 1.00 0.00 H new ATOM 0 HB2 ASP A 111 11.651 9.329 -5.780 1.00 0.00 H new ATOM 0 HB3 ASP A 111 12.749 9.093 -4.434 1.00 0.00 H new ATOM 853 N ILE A 112 14.678 6.454 -5.180 1.00 0.00 N ATOM 854 CA ILE A 112 14.835 5.218 -4.422 1.00 0.00 C ATOM 855 C ILE A 112 14.106 5.300 -3.084 1.00 0.00 C ATOM 856 O ILE A 112 13.165 4.547 -2.833 1.00 0.00 O ATOM 857 CB ILE A 112 16.322 4.944 -4.179 1.00 0.00 C ATOM 858 CG1 ILE A 112 17.074 4.934 -5.522 1.00 0.00 C ATOM 859 CG2 ILE A 112 16.485 3.593 -3.476 1.00 0.00 C ATOM 860 CD1 ILE A 112 16.992 3.544 -6.165 1.00 0.00 C ATOM 0 H ILE A 112 15.554 6.904 -5.447 1.00 0.00 H new ATOM 0 HA ILE A 112 14.401 4.404 -5.003 1.00 0.00 H new ATOM 0 HB ILE A 112 16.738 5.728 -3.546 1.00 0.00 H new ATOM 0 HG12 ILE A 112 16.645 5.679 -6.193 1.00 0.00 H new ATOM 0 HG13 ILE A 112 18.117 5.209 -5.365 1.00 0.00 H new ATOM 0 HG21 ILE A 112 17.543 3.398 -3.303 1.00 0.00 H new ATOM 0 HG22 ILE A 112 15.959 3.614 -2.521 1.00 0.00 H new ATOM 0 HG23 ILE A 112 16.068 2.804 -4.102 1.00 0.00 H new ATOM 0 HD11 ILE A 112 17.528 3.550 -7.114 1.00 0.00 H new ATOM 0 HD12 ILE A 112 17.442 2.808 -5.499 1.00 0.00 H new ATOM 0 HD13 ILE A 112 15.948 3.285 -6.339 1.00 0.00 H new ATOM 872 N GLU A 113 14.551 6.211 -2.225 1.00 0.00 N ATOM 873 CA GLU A 113 13.935 6.372 -0.912 1.00 0.00 C ATOM 874 C GLU A 113 12.414 6.456 -1.031 1.00 0.00 C ATOM 875 O GLU A 113 11.689 5.768 -0.313 1.00 0.00 O ATOM 876 CB GLU A 113 14.471 7.634 -0.228 1.00 0.00 C ATOM 877 CG GLU A 113 14.552 8.781 -1.238 1.00 0.00 C ATOM 878 CD GLU A 113 15.128 10.025 -0.567 1.00 0.00 C ATOM 879 OE1 GLU A 113 15.945 9.868 0.324 1.00 0.00 O ATOM 880 OE2 GLU A 113 14.742 11.115 -0.956 1.00 0.00 O ATOM 0 H GLU A 113 15.329 6.844 -2.411 1.00 0.00 H new ATOM 0 HA GLU A 113 14.189 5.500 -0.309 1.00 0.00 H new ATOM 0 HB2 GLU A 113 13.820 7.913 0.601 1.00 0.00 H new ATOM 0 HB3 GLU A 113 15.457 7.439 0.193 1.00 0.00 H new ATOM 0 HG2 GLU A 113 15.177 8.490 -2.082 1.00 0.00 H new ATOM 0 HG3 GLU A 113 13.560 8.998 -1.635 1.00 0.00 H new ATOM 887 N LEU A 114 11.940 7.300 -1.940 1.00 0.00 N ATOM 888 CA LEU A 114 10.504 7.464 -2.143 1.00 0.00 C ATOM 889 C LEU A 114 9.871 6.121 -2.497 1.00 0.00 C ATOM 890 O LEU A 114 8.992 5.627 -1.789 1.00 0.00 O ATOM 891 CB LEU A 114 10.262 8.482 -3.267 1.00 0.00 C ATOM 892 CG LEU A 114 8.763 8.800 -3.432 1.00 0.00 C ATOM 893 CD1 LEU A 114 8.023 7.596 -4.029 1.00 0.00 C ATOM 894 CD2 LEU A 114 8.143 9.167 -2.076 1.00 0.00 C ATOM 0 H LEU A 114 12.524 7.878 -2.545 1.00 0.00 H new ATOM 0 HA LEU A 114 10.046 7.831 -1.225 1.00 0.00 H new ATOM 0 HB2 LEU A 114 10.808 9.400 -3.050 1.00 0.00 H new ATOM 0 HB3 LEU A 114 10.657 8.090 -4.204 1.00 0.00 H new ATOM 0 HG LEU A 114 8.665 9.648 -4.110 1.00 0.00 H new ATOM 0 HD11 LEU A 114 6.966 7.837 -4.139 1.00 0.00 H new ATOM 0 HD12 LEU A 114 8.444 7.358 -5.006 1.00 0.00 H new ATOM 0 HD13 LEU A 114 8.132 6.737 -3.367 1.00 0.00 H new ATOM 0 HD21 LEU A 114 7.084 9.389 -2.208 1.00 0.00 H new ATOM 0 HD22 LEU A 114 8.255 8.330 -1.386 1.00 0.00 H new ATOM 0 HD23 LEU A 114 8.649 10.043 -1.669 1.00 0.00 H new ATOM 906 N LEU A 115 10.328 5.533 -3.597 1.00 0.00 N ATOM 907 CA LEU A 115 9.811 4.244 -4.042 1.00 0.00 C ATOM 908 C LEU A 115 9.665 3.297 -2.853 1.00 0.00 C ATOM 909 O LEU A 115 8.630 2.652 -2.678 1.00 0.00 O ATOM 910 CB LEU A 115 10.771 3.629 -5.077 1.00 0.00 C ATOM 911 CG LEU A 115 10.344 3.977 -6.516 1.00 0.00 C ATOM 912 CD1 LEU A 115 9.230 3.030 -6.970 1.00 0.00 C ATOM 913 CD2 LEU A 115 9.853 5.431 -6.603 1.00 0.00 C ATOM 0 H LEU A 115 11.054 5.927 -4.196 1.00 0.00 H new ATOM 0 HA LEU A 115 8.833 4.394 -4.498 1.00 0.00 H new ATOM 0 HB2 LEU A 115 11.783 3.993 -4.898 1.00 0.00 H new ATOM 0 HB3 LEU A 115 10.795 2.546 -4.955 1.00 0.00 H new ATOM 0 HG LEU A 115 11.209 3.863 -7.169 1.00 0.00 H new ATOM 0 HD11 LEU A 115 8.932 3.281 -7.988 1.00 0.00 H new ATOM 0 HD12 LEU A 115 9.592 2.002 -6.940 1.00 0.00 H new ATOM 0 HD13 LEU A 115 8.372 3.132 -6.305 1.00 0.00 H new ATOM 0 HD21 LEU A 115 9.557 5.654 -7.628 1.00 0.00 H new ATOM 0 HD22 LEU A 115 8.998 5.567 -5.941 1.00 0.00 H new ATOM 0 HD23 LEU A 115 10.655 6.105 -6.302 1.00 0.00 H new ATOM 925 N ALA A 116 10.713 3.222 -2.037 1.00 0.00 N ATOM 926 CA ALA A 116 10.698 2.355 -0.865 1.00 0.00 C ATOM 927 C ALA A 116 9.569 2.750 0.079 1.00 0.00 C ATOM 928 O ALA A 116 8.824 1.897 0.562 1.00 0.00 O ATOM 929 CB ALA A 116 12.036 2.453 -0.131 1.00 0.00 C ATOM 0 H ALA A 116 11.578 3.748 -2.165 1.00 0.00 H new ATOM 0 HA ALA A 116 10.537 1.329 -1.195 1.00 0.00 H new ATOM 0 HB1 ALA A 116 12.019 1.803 0.744 1.00 0.00 H new ATOM 0 HB2 ALA A 116 12.840 2.143 -0.798 1.00 0.00 H new ATOM 0 HB3 ALA A 116 12.203 3.483 0.185 1.00 0.00 H new ATOM 935 N ALA A 117 9.448 4.047 0.337 1.00 0.00 N ATOM 936 CA ALA A 117 8.405 4.546 1.225 1.00 0.00 C ATOM 937 C ALA A 117 7.047 3.977 0.830 1.00 0.00 C ATOM 938 O ALA A 117 6.359 3.363 1.645 1.00 0.00 O ATOM 939 CB ALA A 117 8.363 6.073 1.167 1.00 0.00 C ATOM 0 H ALA A 117 10.055 4.768 -0.053 1.00 0.00 H new ATOM 0 HA ALA A 117 8.633 4.228 2.242 1.00 0.00 H new ATOM 0 HB1 ALA A 117 7.582 6.441 1.832 1.00 0.00 H new ATOM 0 HB2 ALA A 117 9.326 6.476 1.480 1.00 0.00 H new ATOM 0 HB3 ALA A 117 8.151 6.393 0.147 1.00 0.00 H new ATOM 945 N CYS A 118 6.665 4.188 -0.425 1.00 0.00 N ATOM 946 CA CYS A 118 5.383 3.692 -0.917 1.00 0.00 C ATOM 947 C CYS A 118 5.254 2.189 -0.678 1.00 0.00 C ATOM 948 O CYS A 118 4.327 1.731 -0.006 1.00 0.00 O ATOM 949 CB CYS A 118 5.249 3.980 -2.412 1.00 0.00 C ATOM 950 SG CYS A 118 5.351 5.764 -2.694 1.00 0.00 S ATOM 0 H CYS A 118 7.219 4.695 -1.116 1.00 0.00 H new ATOM 0 HA CYS A 118 4.590 4.204 -0.372 1.00 0.00 H new ATOM 0 HB2 CYS A 118 6.037 3.468 -2.964 1.00 0.00 H new ATOM 0 HB3 CYS A 118 4.299 3.596 -2.783 1.00 0.00 H new ATOM 0 HG CYS A 118 5.030 6.028 -3.926 1.00 0.00 H new ATOM 956 N ARG A 119 6.184 1.423 -1.239 1.00 0.00 N ATOM 957 CA ARG A 119 6.156 -0.028 -1.083 1.00 0.00 C ATOM 958 C ARG A 119 5.858 -0.406 0.368 1.00 0.00 C ATOM 959 O ARG A 119 5.032 -1.281 0.634 1.00 0.00 O ATOM 960 CB ARG A 119 7.505 -0.627 -1.506 1.00 0.00 C ATOM 961 CG ARG A 119 7.492 -0.939 -3.009 1.00 0.00 C ATOM 962 CD ARG A 119 8.780 -1.677 -3.403 1.00 0.00 C ATOM 963 NE ARG A 119 9.731 -0.749 -4.005 1.00 0.00 N ATOM 964 CZ ARG A 119 9.719 -0.499 -5.312 1.00 0.00 C ATOM 965 NH1 ARG A 119 8.836 -1.077 -6.079 1.00 0.00 N ATOM 966 NH2 ARG A 119 10.589 0.325 -5.827 1.00 0.00 N ATOM 0 H ARG A 119 6.959 1.777 -1.800 1.00 0.00 H new ATOM 0 HA ARG A 119 5.367 -0.429 -1.719 1.00 0.00 H new ATOM 0 HB2 ARG A 119 8.310 0.072 -1.278 1.00 0.00 H new ATOM 0 HB3 ARG A 119 7.702 -1.537 -0.939 1.00 0.00 H new ATOM 0 HG2 ARG A 119 6.623 -1.550 -3.255 1.00 0.00 H new ATOM 0 HG3 ARG A 119 7.403 -0.015 -3.580 1.00 0.00 H new ATOM 0 HD2 ARG A 119 9.224 -2.143 -2.523 1.00 0.00 H new ATOM 0 HD3 ARG A 119 8.548 -2.478 -4.105 1.00 0.00 H new ATOM 0 HE ARG A 119 10.418 -0.283 -3.413 1.00 0.00 H new ATOM 0 HH11 ARG A 119 8.155 -1.721 -5.677 1.00 0.00 H new ATOM 0 HH12 ARG A 119 8.827 -0.885 -7.081 1.00 0.00 H new ATOM 0 HH21 ARG A 119 11.279 0.778 -5.228 1.00 0.00 H new ATOM 0 HH22 ARG A 119 10.579 0.516 -6.829 1.00 0.00 H new ATOM 980 N GLU A 120 6.534 0.257 1.300 1.00 0.00 N ATOM 981 CA GLU A 120 6.331 -0.021 2.718 1.00 0.00 C ATOM 982 C GLU A 120 4.882 0.245 3.117 1.00 0.00 C ATOM 983 O GLU A 120 4.259 -0.572 3.795 1.00 0.00 O ATOM 984 CB GLU A 120 7.266 0.848 3.563 1.00 0.00 C ATOM 985 CG GLU A 120 8.716 0.421 3.327 1.00 0.00 C ATOM 986 CD GLU A 120 9.002 -0.884 4.064 1.00 0.00 C ATOM 987 OE1 GLU A 120 8.654 -1.928 3.536 1.00 0.00 O ATOM 988 OE2 GLU A 120 9.563 -0.820 5.145 1.00 0.00 O ATOM 0 H GLU A 120 7.221 0.984 1.103 1.00 0.00 H new ATOM 0 HA GLU A 120 6.556 -1.072 2.897 1.00 0.00 H new ATOM 0 HB2 GLU A 120 7.138 1.898 3.301 1.00 0.00 H new ATOM 0 HB3 GLU A 120 7.015 0.750 4.619 1.00 0.00 H new ATOM 0 HG2 GLU A 120 8.897 0.293 2.260 1.00 0.00 H new ATOM 0 HG3 GLU A 120 9.394 1.200 3.674 1.00 0.00 H new ATOM 995 N GLU A 121 4.352 1.388 2.694 1.00 0.00 N ATOM 996 CA GLU A 121 2.976 1.742 3.019 1.00 0.00 C ATOM 997 C GLU A 121 2.032 0.610 2.626 1.00 0.00 C ATOM 998 O GLU A 121 1.096 0.287 3.359 1.00 0.00 O ATOM 999 CB GLU A 121 2.573 3.029 2.287 1.00 0.00 C ATOM 1000 CG GLU A 121 2.670 4.224 3.242 1.00 0.00 C ATOM 1001 CD GLU A 121 1.587 4.128 4.313 1.00 0.00 C ATOM 1002 OE1 GLU A 121 0.920 3.108 4.365 1.00 0.00 O ATOM 1003 OE2 GLU A 121 1.441 5.078 5.064 1.00 0.00 O ATOM 0 H GLU A 121 4.849 2.078 2.131 1.00 0.00 H new ATOM 0 HA GLU A 121 2.906 1.906 4.094 1.00 0.00 H new ATOM 0 HB2 GLU A 121 3.223 3.187 1.426 1.00 0.00 H new ATOM 0 HB3 GLU A 121 1.556 2.938 1.906 1.00 0.00 H new ATOM 0 HG2 GLU A 121 3.654 4.247 3.710 1.00 0.00 H new ATOM 0 HG3 GLU A 121 2.560 5.155 2.685 1.00 0.00 H new ATOM 1010 N PHE A 122 2.285 0.010 1.466 1.00 0.00 N ATOM 1011 CA PHE A 122 1.448 -1.087 0.991 1.00 0.00 C ATOM 1012 C PHE A 122 1.573 -2.290 1.920 1.00 0.00 C ATOM 1013 O PHE A 122 0.572 -2.875 2.328 1.00 0.00 O ATOM 1014 CB PHE A 122 1.865 -1.507 -0.420 1.00 0.00 C ATOM 1015 CG PHE A 122 1.667 -0.377 -1.416 1.00 0.00 C ATOM 1016 CD1 PHE A 122 0.641 0.567 -1.254 1.00 0.00 C ATOM 1017 CD2 PHE A 122 2.519 -0.291 -2.524 1.00 0.00 C ATOM 1018 CE1 PHE A 122 0.475 1.590 -2.195 1.00 0.00 C ATOM 1019 CE2 PHE A 122 2.349 0.730 -3.464 1.00 0.00 C ATOM 1020 CZ PHE A 122 1.328 1.671 -3.300 1.00 0.00 C ATOM 0 H PHE A 122 3.054 0.261 0.844 1.00 0.00 H new ATOM 0 HA PHE A 122 0.415 -0.740 0.977 1.00 0.00 H new ATOM 0 HB2 PHE A 122 2.912 -1.811 -0.416 1.00 0.00 H new ATOM 0 HB3 PHE A 122 1.282 -2.374 -0.730 1.00 0.00 H new ATOM 0 HD1 PHE A 122 -0.021 0.504 -0.403 1.00 0.00 H new ATOM 0 HD2 PHE A 122 3.310 -1.015 -2.653 1.00 0.00 H new ATOM 0 HE1 PHE A 122 -0.313 2.318 -2.067 1.00 0.00 H new ATOM 0 HE2 PHE A 122 3.007 0.792 -4.318 1.00 0.00 H new ATOM 0 HZ PHE A 122 1.198 2.460 -4.026 1.00 0.00 H new ATOM 1030 N HIS A 123 2.808 -2.659 2.240 1.00 0.00 N ATOM 1031 CA HIS A 123 3.053 -3.803 3.112 1.00 0.00 C ATOM 1032 C HIS A 123 2.330 -3.643 4.447 1.00 0.00 C ATOM 1033 O HIS A 123 1.658 -4.564 4.913 1.00 0.00 O ATOM 1034 CB HIS A 123 4.556 -3.946 3.363 1.00 0.00 C ATOM 1035 CG HIS A 123 4.800 -5.048 4.357 1.00 0.00 C ATOM 1036 ND1 HIS A 123 4.501 -6.373 4.080 1.00 0.00 N ATOM 1037 CD2 HIS A 123 5.315 -5.037 5.629 1.00 0.00 C ATOM 1038 CE1 HIS A 123 4.835 -7.098 5.164 1.00 0.00 C ATOM 1039 NE2 HIS A 123 5.336 -6.333 6.137 1.00 0.00 N ATOM 0 H HIS A 123 3.650 -2.187 1.912 1.00 0.00 H new ATOM 0 HA HIS A 123 2.671 -4.696 2.617 1.00 0.00 H new ATOM 0 HB2 HIS A 123 5.072 -4.165 2.428 1.00 0.00 H new ATOM 0 HB3 HIS A 123 4.963 -3.007 3.739 1.00 0.00 H new ATOM 0 HD2 HIS A 123 5.653 -4.157 6.156 1.00 0.00 H new ATOM 0 HE1 HIS A 123 4.713 -8.169 5.238 1.00 0.00 H new ATOM 0 HE2 HIS A 123 5.664 -6.634 7.055 1.00 0.00 H new ATOM 1047 N ARG A 124 2.488 -2.480 5.068 1.00 0.00 N ATOM 1048 CA ARG A 124 1.861 -2.218 6.358 1.00 0.00 C ATOM 1049 C ARG A 124 0.338 -2.295 6.269 1.00 0.00 C ATOM 1050 O ARG A 124 -0.285 -3.148 6.906 1.00 0.00 O ATOM 1051 CB ARG A 124 2.278 -0.834 6.866 1.00 0.00 C ATOM 1052 CG ARG A 124 3.675 -0.916 7.491 1.00 0.00 C ATOM 1053 CD ARG A 124 4.112 0.470 7.987 1.00 0.00 C ATOM 1054 NE ARG A 124 5.290 0.916 7.252 1.00 0.00 N ATOM 1055 CZ ARG A 124 6.168 1.752 7.798 1.00 0.00 C ATOM 1056 NH1 ARG A 124 5.983 2.192 9.013 1.00 0.00 N ATOM 1057 NH2 ARG A 124 7.215 2.131 7.118 1.00 0.00 N ATOM 0 H ARG A 124 3.042 -1.706 4.701 1.00 0.00 H new ATOM 0 HA ARG A 124 2.197 -2.986 7.055 1.00 0.00 H new ATOM 0 HB2 ARG A 124 2.278 -0.118 6.044 1.00 0.00 H new ATOM 0 HB3 ARG A 124 1.560 -0.474 7.602 1.00 0.00 H new ATOM 0 HG2 ARG A 124 3.670 -1.623 8.321 1.00 0.00 H new ATOM 0 HG3 ARG A 124 4.389 -1.290 6.757 1.00 0.00 H new ATOM 0 HD2 ARG A 124 3.300 1.185 7.856 1.00 0.00 H new ATOM 0 HD3 ARG A 124 4.333 0.430 9.054 1.00 0.00 H new ATOM 0 HE ARG A 124 5.443 0.580 6.301 1.00 0.00 H new ATOM 0 HH11 ARG A 124 5.165 1.894 9.544 1.00 0.00 H new ATOM 0 HH12 ARG A 124 6.657 2.833 9.431 1.00 0.00 H new ATOM 0 HH21 ARG A 124 7.359 1.786 6.169 1.00 0.00 H new ATOM 0 HH22 ARG A 124 7.889 2.772 7.535 1.00 0.00 H new ATOM 1071 N ARG A 125 -0.260 -1.393 5.497 1.00 0.00 N ATOM 1072 CA ARG A 125 -1.713 -1.372 5.365 1.00 0.00 C ATOM 1073 C ARG A 125 -2.252 -2.740 4.955 1.00 0.00 C ATOM 1074 O ARG A 125 -3.381 -3.093 5.297 1.00 0.00 O ATOM 1075 CB ARG A 125 -2.142 -0.310 4.347 1.00 0.00 C ATOM 1076 CG ARG A 125 -1.854 -0.797 2.927 1.00 0.00 C ATOM 1077 CD ARG A 125 -2.017 0.371 1.954 1.00 0.00 C ATOM 1078 NE ARG A 125 -1.137 1.468 2.339 1.00 0.00 N ATOM 1079 CZ ARG A 125 -1.449 2.732 2.069 1.00 0.00 C ATOM 1080 NH1 ARG A 125 -2.553 3.012 1.432 1.00 0.00 N ATOM 1081 NH2 ARG A 125 -0.647 3.691 2.439 1.00 0.00 N ATOM 0 H ARG A 125 0.230 -0.677 4.961 1.00 0.00 H new ATOM 0 HA ARG A 125 -2.132 -1.120 6.339 1.00 0.00 H new ATOM 0 HB2 ARG A 125 -3.205 -0.097 4.458 1.00 0.00 H new ATOM 0 HB3 ARG A 125 -1.609 0.622 4.535 1.00 0.00 H new ATOM 0 HG2 ARG A 125 -0.843 -1.199 2.865 1.00 0.00 H new ATOM 0 HG3 ARG A 125 -2.535 -1.605 2.661 1.00 0.00 H new ATOM 0 HD2 ARG A 125 -1.784 0.046 0.940 1.00 0.00 H new ATOM 0 HD3 ARG A 125 -3.053 0.709 1.950 1.00 0.00 H new ATOM 0 HE ARG A 125 -0.264 1.262 2.825 1.00 0.00 H new ATOM 0 HH11 ARG A 125 -3.178 2.261 1.140 1.00 0.00 H new ATOM 0 HH12 ARG A 125 -2.791 3.982 1.226 1.00 0.00 H new ATOM 0 HH21 ARG A 125 0.217 3.471 2.934 1.00 0.00 H new ATOM 0 HH22 ARG A 125 -0.884 4.662 2.233 1.00 0.00 H new ATOM 1095 N LEU A 126 -1.448 -3.515 4.229 1.00 0.00 N ATOM 1096 CA LEU A 126 -1.887 -4.840 3.804 1.00 0.00 C ATOM 1097 C LEU A 126 -1.985 -5.770 5.008 1.00 0.00 C ATOM 1098 O LEU A 126 -3.019 -6.393 5.239 1.00 0.00 O ATOM 1099 CB LEU A 126 -0.919 -5.431 2.768 1.00 0.00 C ATOM 1100 CG LEU A 126 -1.416 -5.123 1.349 1.00 0.00 C ATOM 1101 CD1 LEU A 126 -0.411 -5.666 0.337 1.00 0.00 C ATOM 1102 CD2 LEU A 126 -2.778 -5.793 1.108 1.00 0.00 C ATOM 0 H LEU A 126 -0.509 -3.255 3.929 1.00 0.00 H new ATOM 0 HA LEU A 126 -2.870 -4.742 3.343 1.00 0.00 H new ATOM 0 HB2 LEU A 126 0.078 -5.015 2.911 1.00 0.00 H new ATOM 0 HB3 LEU A 126 -0.838 -6.509 2.908 1.00 0.00 H new ATOM 0 HG LEU A 126 -1.521 -4.044 1.235 1.00 0.00 H new ATOM 0 HD11 LEU A 126 -0.759 -5.450 -0.673 1.00 0.00 H new ATOM 0 HD12 LEU A 126 0.558 -5.192 0.496 1.00 0.00 H new ATOM 0 HD13 LEU A 126 -0.313 -6.744 0.464 1.00 0.00 H new ATOM 0 HD21 LEU A 126 -3.121 -5.568 0.098 1.00 0.00 H new ATOM 0 HD22 LEU A 126 -2.678 -6.872 1.225 1.00 0.00 H new ATOM 0 HD23 LEU A 126 -3.502 -5.415 1.830 1.00 0.00 H new ATOM 1114 N LYS A 127 -0.903 -5.853 5.775 1.00 0.00 N ATOM 1115 CA LYS A 127 -0.885 -6.707 6.956 1.00 0.00 C ATOM 1116 C LYS A 127 -2.097 -6.415 7.834 1.00 0.00 C ATOM 1117 O LYS A 127 -2.836 -7.323 8.212 1.00 0.00 O ATOM 1118 CB LYS A 127 0.400 -6.468 7.754 1.00 0.00 C ATOM 1119 CG LYS A 127 1.572 -7.201 7.085 1.00 0.00 C ATOM 1120 CD LYS A 127 1.648 -8.644 7.601 1.00 0.00 C ATOM 1121 CE LYS A 127 2.476 -8.689 8.889 1.00 0.00 C ATOM 1122 NZ LYS A 127 2.319 -10.020 9.537 1.00 0.00 N ATOM 0 H LYS A 127 -0.036 -5.345 5.602 1.00 0.00 H new ATOM 0 HA LYS A 127 -0.921 -7.748 6.636 1.00 0.00 H new ATOM 0 HB2 LYS A 127 0.611 -5.400 7.809 1.00 0.00 H new ATOM 0 HB3 LYS A 127 0.275 -6.822 8.777 1.00 0.00 H new ATOM 0 HG2 LYS A 127 1.443 -7.199 6.003 1.00 0.00 H new ATOM 0 HG3 LYS A 127 2.506 -6.680 7.296 1.00 0.00 H new ATOM 0 HD2 LYS A 127 0.645 -9.027 7.789 1.00 0.00 H new ATOM 0 HD3 LYS A 127 2.098 -9.287 6.845 1.00 0.00 H new ATOM 0 HE2 LYS A 127 3.527 -8.504 8.665 1.00 0.00 H new ATOM 0 HE3 LYS A 127 2.152 -7.901 9.569 1.00 0.00 H new ATOM 0 HZ1 LYS A 127 2.882 -10.049 10.411 1.00 0.00 H new ATOM 0 HZ2 LYS A 127 1.317 -10.179 9.765 1.00 0.00 H new ATOM 0 HZ3 LYS A 127 2.649 -10.763 8.888 1.00 0.00 H new ATOM 1136 N VAL A 128 -2.293 -5.140 8.153 1.00 0.00 N ATOM 1137 CA VAL A 128 -3.419 -4.733 8.986 1.00 0.00 C ATOM 1138 C VAL A 128 -4.739 -5.052 8.289 1.00 0.00 C ATOM 1139 O VAL A 128 -5.701 -5.479 8.927 1.00 0.00 O ATOM 1140 CB VAL A 128 -3.340 -3.233 9.274 1.00 0.00 C ATOM 1141 CG1 VAL A 128 -4.397 -2.855 10.313 1.00 0.00 C ATOM 1142 CG2 VAL A 128 -1.949 -2.891 9.814 1.00 0.00 C ATOM 0 H VAL A 128 -1.691 -4.375 7.850 1.00 0.00 H new ATOM 0 HA VAL A 128 -3.373 -5.284 9.925 1.00 0.00 H new ATOM 0 HB VAL A 128 -3.521 -2.677 8.354 1.00 0.00 H new ATOM 0 HG11 VAL A 128 -4.340 -1.786 10.518 1.00 0.00 H new ATOM 0 HG12 VAL A 128 -5.388 -3.099 9.929 1.00 0.00 H new ATOM 0 HG13 VAL A 128 -4.218 -3.411 11.233 1.00 0.00 H new ATOM 0 HG21 VAL A 128 -1.891 -1.822 10.020 1.00 0.00 H new ATOM 0 HG22 VAL A 128 -1.769 -3.448 10.734 1.00 0.00 H new ATOM 0 HG23 VAL A 128 -1.195 -3.159 9.074 1.00 0.00 H new ATOM 1152 N TYR A 129 -4.774 -4.845 6.978 1.00 0.00 N ATOM 1153 CA TYR A 129 -5.976 -5.114 6.198 1.00 0.00 C ATOM 1154 C TYR A 129 -6.327 -6.600 6.265 1.00 0.00 C ATOM 1155 O TYR A 129 -7.499 -6.971 6.347 1.00 0.00 O ATOM 1156 CB TYR A 129 -5.742 -4.688 4.742 1.00 0.00 C ATOM 1157 CG TYR A 129 -6.652 -5.456 3.809 1.00 0.00 C ATOM 1158 CD1 TYR A 129 -8.036 -5.444 4.017 1.00 0.00 C ATOM 1159 CD2 TYR A 129 -6.112 -6.179 2.735 1.00 0.00 C ATOM 1160 CE1 TYR A 129 -8.881 -6.153 3.154 1.00 0.00 C ATOM 1161 CE2 TYR A 129 -6.958 -6.888 1.873 1.00 0.00 C ATOM 1162 CZ TYR A 129 -8.343 -6.874 2.084 1.00 0.00 C ATOM 1163 OH TYR A 129 -9.176 -7.572 1.235 1.00 0.00 O ATOM 0 H TYR A 129 -3.986 -4.493 6.434 1.00 0.00 H new ATOM 0 HA TYR A 129 -6.809 -4.545 6.610 1.00 0.00 H new ATOM 0 HB2 TYR A 129 -5.924 -3.618 4.637 1.00 0.00 H new ATOM 0 HB3 TYR A 129 -4.701 -4.863 4.469 1.00 0.00 H new ATOM 0 HD1 TYR A 129 -8.453 -4.888 4.844 1.00 0.00 H new ATOM 0 HD2 TYR A 129 -5.044 -6.189 2.573 1.00 0.00 H new ATOM 0 HE1 TYR A 129 -9.949 -6.143 3.315 1.00 0.00 H new ATOM 0 HE2 TYR A 129 -6.543 -7.445 1.046 1.00 0.00 H new ATOM 0 HH TYR A 129 -8.695 -7.787 0.408 1.00 0.00 H new ATOM 1173 N HIS A 130 -5.300 -7.442 6.235 1.00 0.00 N ATOM 1174 CA HIS A 130 -5.500 -8.885 6.295 1.00 0.00 C ATOM 1175 C HIS A 130 -5.968 -9.302 7.686 1.00 0.00 C ATOM 1176 O HIS A 130 -6.788 -10.209 7.831 1.00 0.00 O ATOM 1177 CB HIS A 130 -4.191 -9.602 5.954 1.00 0.00 C ATOM 1178 CG HIS A 130 -3.982 -9.590 4.463 1.00 0.00 C ATOM 1179 ND1 HIS A 130 -4.819 -10.272 3.594 1.00 0.00 N ATOM 1180 CD2 HIS A 130 -3.039 -8.980 3.674 1.00 0.00 C ATOM 1181 CE1 HIS A 130 -4.365 -10.060 2.345 1.00 0.00 C ATOM 1182 NE2 HIS A 130 -3.283 -9.279 2.337 1.00 0.00 N ATOM 0 H HIS A 130 -4.324 -7.152 6.170 1.00 0.00 H new ATOM 0 HA HIS A 130 -6.266 -9.162 5.571 1.00 0.00 H new ATOM 0 HB2 HIS A 130 -3.355 -9.111 6.452 1.00 0.00 H new ATOM 0 HB3 HIS A 130 -4.221 -10.629 6.319 1.00 0.00 H new ATOM 0 HD1 HIS A 130 -5.631 -10.832 3.854 1.00 0.00 H new ATOM 0 HD2 HIS A 130 -2.231 -8.362 4.036 1.00 0.00 H new ATOM 0 HE1 HIS A 130 -4.821 -10.472 1.457 1.00 0.00 H new ATOM 1190 N ALA A 131 -5.445 -8.629 8.706 1.00 0.00 N ATOM 1191 CA ALA A 131 -5.820 -8.937 10.082 1.00 0.00 C ATOM 1192 C ALA A 131 -7.245 -8.473 10.353 1.00 0.00 C ATOM 1193 O ALA A 131 -8.106 -9.268 10.731 1.00 0.00 O ATOM 1194 CB ALA A 131 -4.860 -8.247 11.053 1.00 0.00 C ATOM 0 H ALA A 131 -4.767 -7.874 8.608 1.00 0.00 H new ATOM 0 HA ALA A 131 -5.763 -10.016 10.228 1.00 0.00 H new ATOM 0 HB1 ALA A 131 -5.147 -8.482 12.078 1.00 0.00 H new ATOM 0 HB2 ALA A 131 -3.844 -8.598 10.871 1.00 0.00 H new ATOM 0 HB3 ALA A 131 -4.903 -7.168 10.903 1.00 0.00 H new ATOM 1200 N TRP A 132 -7.487 -7.184 10.149 1.00 0.00 N ATOM 1201 CA TRP A 132 -8.811 -6.623 10.366 1.00 0.00 C ATOM 1202 C TRP A 132 -9.857 -7.444 9.615 1.00 0.00 C ATOM 1203 O TRP A 132 -10.930 -7.730 10.143 1.00 0.00 O ATOM 1204 CB TRP A 132 -8.839 -5.165 9.889 1.00 0.00 C ATOM 1205 CG TRP A 132 -10.246 -4.750 9.595 1.00 0.00 C ATOM 1206 CD1 TRP A 132 -11.073 -4.126 10.466 1.00 0.00 C ATOM 1207 CD2 TRP A 132 -11.000 -4.917 8.362 1.00 0.00 C ATOM 1208 NE1 TRP A 132 -12.288 -3.902 9.843 1.00 0.00 N ATOM 1209 CE2 TRP A 132 -12.292 -4.371 8.545 1.00 0.00 C ATOM 1210 CE3 TRP A 132 -10.689 -5.484 7.113 1.00 0.00 C ATOM 1211 CZ2 TRP A 132 -13.245 -4.388 7.525 1.00 0.00 C ATOM 1212 CZ3 TRP A 132 -11.645 -5.503 6.084 1.00 0.00 C ATOM 1213 CH2 TRP A 132 -12.919 -4.957 6.291 1.00 0.00 C ATOM 0 H TRP A 132 -6.787 -6.512 9.835 1.00 0.00 H new ATOM 0 HA TRP A 132 -9.043 -6.653 11.431 1.00 0.00 H new ATOM 0 HB2 TRP A 132 -8.412 -4.516 10.653 1.00 0.00 H new ATOM 0 HB3 TRP A 132 -8.224 -5.054 8.996 1.00 0.00 H new ATOM 0 HD1 TRP A 132 -10.825 -3.849 11.480 1.00 0.00 H new ATOM 0 HE1 TRP A 132 -13.084 -3.446 10.289 1.00 0.00 H new ATOM 0 HE3 TRP A 132 -9.710 -5.907 6.944 1.00 0.00 H new ATOM 0 HZ2 TRP A 132 -14.225 -3.965 7.688 1.00 0.00 H new ATOM 0 HZ3 TRP A 132 -11.397 -5.941 5.128 1.00 0.00 H new ATOM 0 HH2 TRP A 132 -13.650 -4.976 5.496 1.00 0.00 H new ATOM 1224 N LYS A 133 -9.531 -7.825 8.383 1.00 0.00 N ATOM 1225 CA LYS A 133 -10.449 -8.617 7.575 1.00 0.00 C ATOM 1226 C LYS A 133 -10.714 -9.966 8.232 1.00 0.00 C ATOM 1227 O LYS A 133 -11.859 -10.407 8.331 1.00 0.00 O ATOM 1228 CB LYS A 133 -9.860 -8.838 6.181 1.00 0.00 C ATOM 1229 CG LYS A 133 -10.844 -9.651 5.333 1.00 0.00 C ATOM 1230 CD LYS A 133 -10.598 -9.367 3.851 1.00 0.00 C ATOM 1231 CE LYS A 133 -9.188 -9.825 3.469 1.00 0.00 C ATOM 1232 NZ LYS A 133 -9.069 -9.874 1.985 1.00 0.00 N ATOM 0 H LYS A 133 -8.647 -7.600 7.927 1.00 0.00 H new ATOM 0 HA LYS A 133 -11.390 -8.073 7.492 1.00 0.00 H new ATOM 0 HB2 LYS A 133 -9.658 -7.879 5.704 1.00 0.00 H new ATOM 0 HB3 LYS A 133 -8.908 -9.363 6.256 1.00 0.00 H new ATOM 0 HG2 LYS A 133 -10.722 -10.715 5.535 1.00 0.00 H new ATOM 0 HG3 LYS A 133 -11.869 -9.392 5.598 1.00 0.00 H new ATOM 0 HD2 LYS A 133 -11.338 -9.887 3.243 1.00 0.00 H new ATOM 0 HD3 LYS A 133 -10.712 -8.302 3.650 1.00 0.00 H new ATOM 0 HE2 LYS A 133 -8.447 -9.141 3.882 1.00 0.00 H new ATOM 0 HE3 LYS A 133 -8.985 -10.808 3.894 1.00 0.00 H new ATOM 0 HZ1 LYS A 133 -8.212 -10.402 1.723 1.00 0.00 H new ATOM 0 HZ2 LYS A 133 -9.904 -10.348 1.585 1.00 0.00 H new ATOM 0 HZ3 LYS A 133 -9.008 -8.906 1.609 1.00 0.00 H new ATOM 1246 N SER A 134 -9.647 -10.619 8.682 1.00 0.00 N ATOM 1247 CA SER A 134 -9.776 -11.918 9.329 1.00 0.00 C ATOM 1248 C SER A 134 -10.547 -11.787 10.638 1.00 0.00 C ATOM 1249 O SER A 134 -11.191 -12.734 11.089 1.00 0.00 O ATOM 1250 CB SER A 134 -8.392 -12.505 9.608 1.00 0.00 C ATOM 1251 OG SER A 134 -8.521 -13.886 9.920 1.00 0.00 O ATOM 0 H SER A 134 -8.690 -10.272 8.611 1.00 0.00 H new ATOM 0 HA SER A 134 -10.323 -12.583 8.660 1.00 0.00 H new ATOM 0 HB2 SER A 134 -7.748 -12.376 8.738 1.00 0.00 H new ATOM 0 HB3 SER A 134 -7.920 -11.976 10.436 1.00 0.00 H new ATOM 0 HG SER A 134 -7.635 -14.265 10.098 1.00 0.00 H new ATOM 1257 N LYS A 135 -10.474 -10.607 11.244 1.00 0.00 N ATOM 1258 CA LYS A 135 -11.168 -10.357 12.502 1.00 0.00 C ATOM 1259 C LYS A 135 -12.625 -9.980 12.244 1.00 0.00 C ATOM 1260 O LYS A 135 -13.505 -10.270 13.056 1.00 0.00 O ATOM 1261 CB LYS A 135 -10.461 -9.227 13.265 1.00 0.00 C ATOM 1262 CG LYS A 135 -10.247 -9.638 14.725 1.00 0.00 C ATOM 1263 CD LYS A 135 -9.644 -8.468 15.506 1.00 0.00 C ATOM 1264 CE LYS A 135 -8.284 -8.094 14.909 1.00 0.00 C ATOM 1265 NZ LYS A 135 -7.456 -7.421 15.950 1.00 0.00 N ATOM 0 H LYS A 135 -9.944 -9.812 10.887 1.00 0.00 H new ATOM 0 HA LYS A 135 -11.148 -11.267 13.102 1.00 0.00 H new ATOM 0 HB2 LYS A 135 -9.502 -9.004 12.797 1.00 0.00 H new ATOM 0 HB3 LYS A 135 -11.058 -8.316 13.218 1.00 0.00 H new ATOM 0 HG2 LYS A 135 -11.195 -9.936 15.172 1.00 0.00 H new ATOM 0 HG3 LYS A 135 -9.585 -10.502 14.776 1.00 0.00 H new ATOM 0 HD2 LYS A 135 -10.316 -7.610 15.471 1.00 0.00 H new ATOM 0 HD3 LYS A 135 -9.529 -8.740 16.555 1.00 0.00 H new ATOM 0 HE2 LYS A 135 -7.776 -8.987 14.545 1.00 0.00 H new ATOM 0 HE3 LYS A 135 -8.419 -7.433 14.053 1.00 0.00 H new ATOM 0 HZ1 LYS A 135 -6.532 -7.166 15.547 1.00 0.00 H new ATOM 0 HZ2 LYS A 135 -7.941 -6.561 16.276 1.00 0.00 H new ATOM 0 HZ3 LYS A 135 -7.317 -8.066 16.754 1.00 0.00 H new