USER MOD reduce.3.24.130724 H: found=0, std=0, add=566, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 566 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 319 HIS HD1 : A 319 HIS ND1 : A 401 ZNZN :(H bumps) USER MOD Single : A -1 SER OG : rot -57:sc= 0.308 USER MOD Single : A -2 GLY N :NH3+ -175:sc= 0 (180deg=-0.017) USER MOD Single : A 294 LYS NZ :NH3+ -137:sc= 0.511 (180deg=-0.626) USER MOD Single : A 295 ASN : amide:sc= -5.4! C(o=-5.4!,f=-4!) USER MOD Single : A 310 CYS SG : rot 180:sc= -2.07! USER MOD Single : A 324 SER OG : rot 180:sc= 0 USER MOD Single : A 332 SER OG : rot 180:sc= 0 USER MOD Single : A 334 THR OG1 : rot 180:sc= 0 USER MOD Single : A 338 SER OG : rot 180:sc= 0 USER MOD Single : A 339 SER OG : rot -60:sc= 0.598 USER MOD Single : A 342 GLN : amide:sc= -0.435 X(o=-0.43,f=-0.00095) USER MOD Single : A 344 THR OG1 : rot 180:sc= -0.0271 USER MOD Single : A 346 GLN : amide:sc= -7.22! C(o=-7.2!,f=-4.3!) USER MOD Single : B 1 ALA N :NH3+ 166:sc= -0.181 (180deg=-0.223) USER MOD Single : B 3 THR OG1 : rot -9:sc= 0.79 USER MOD Single : B 4 LYS NZ :NH3+ -117:sc= 0.751 (180deg=-0.115) USER MOD Single : B 5 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 6 THR OG1 : rot 180:sc= -0.367 USER MOD Single : B 9 LYS NZ :NH3+ 163:sc= -0.0509 (180deg=-0.314) USER MOD Single : B 10 SER OG : rot 180:sc= 0 USER MOD Single : B 11 THR OG1 : rot 180:sc= 0 USER MOD Single : B 14 LYS NZ :NH3+ -167:sc= -0.0139 (180deg=-0.227) USER MOD Single : B 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 19 GLN : amide:sc= -1.76 K(o=-1.8,f=-4.9!) USER MOD Single : B 21 CYS SG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -2 8.739 -0.088 -12.863 1.00 0.00 N ATOM 2 CA GLY A -2 8.331 -0.353 -11.456 1.00 0.00 C ATOM 3 C GLY A -2 7.040 -1.143 -11.363 1.00 0.00 C ATOM 4 O GLY A -2 6.914 -2.040 -10.529 1.00 0.00 O ATOM 0 H1 GLY A -2 9.668 0.380 -12.873 1.00 0.00 H new ATOM 0 H2 GLY A -2 8.798 -0.987 -13.382 1.00 0.00 H new ATOM 0 H3 GLY A -2 8.036 0.529 -13.318 1.00 0.00 H new ATOM 0 HA2 GLY A -2 9.125 -0.900 -10.948 1.00 0.00 H new ATOM 0 HA3 GLY A -2 8.211 0.595 -10.931 1.00 0.00 H new ATOM 10 N SER A -1 6.079 -0.806 -12.222 1.00 0.00 N ATOM 11 CA SER A -1 4.788 -1.488 -12.238 1.00 0.00 C ATOM 12 C SER A -1 4.117 -1.419 -10.869 1.00 0.00 C ATOM 13 O SER A -1 3.847 -2.445 -10.244 1.00 0.00 O ATOM 14 CB SER A -1 4.964 -2.948 -12.664 1.00 0.00 C ATOM 15 OG SER A -1 3.716 -3.618 -12.721 1.00 0.00 O ATOM 0 H SER A -1 6.171 -0.064 -12.916 1.00 0.00 H new ATOM 0 HA SER A -1 4.147 -0.982 -12.960 1.00 0.00 H new ATOM 0 HB2 SER A -1 5.447 -2.989 -13.640 1.00 0.00 H new ATOM 0 HB3 SER A -1 5.622 -3.458 -11.961 1.00 0.00 H new ATOM 0 HG SER A -1 3.272 -3.558 -11.849 1.00 0.00 H new ATOM 21 N LYS A 294 3.852 -0.200 -10.408 1.00 0.00 N ATOM 22 CA LYS A 294 3.216 0.008 -9.112 1.00 0.00 C ATOM 23 C LYS A 294 2.263 1.197 -9.158 1.00 0.00 C ATOM 24 O LYS A 294 2.422 2.102 -9.978 1.00 0.00 O ATOM 25 CB LYS A 294 4.276 0.238 -8.030 1.00 0.00 C ATOM 26 CG LYS A 294 5.089 -1.003 -7.690 1.00 0.00 C ATOM 27 CD LYS A 294 4.273 -2.003 -6.890 1.00 0.00 C ATOM 28 CE LYS A 294 4.984 -3.338 -6.769 1.00 0.00 C ATOM 29 NZ LYS A 294 5.310 -3.922 -8.100 1.00 0.00 N ATOM 0 H LYS A 294 4.068 0.659 -10.914 1.00 0.00 H new ATOM 0 HA LYS A 294 2.644 -0.888 -8.870 1.00 0.00 H new ATOM 0 HB2 LYS A 294 4.954 1.025 -8.361 1.00 0.00 H new ATOM 0 HB3 LYS A 294 3.786 0.598 -7.126 1.00 0.00 H new ATOM 0 HG2 LYS A 294 5.441 -1.472 -8.609 1.00 0.00 H new ATOM 0 HG3 LYS A 294 5.973 -0.715 -7.121 1.00 0.00 H new ATOM 0 HD2 LYS A 294 4.080 -1.602 -5.895 1.00 0.00 H new ATOM 0 HD3 LYS A 294 3.305 -2.148 -7.369 1.00 0.00 H new ATOM 0 HE2 LYS A 294 5.902 -3.209 -6.196 1.00 0.00 H new ATOM 0 HE3 LYS A 294 4.356 -4.034 -6.212 1.00 0.00 H new ATOM 0 HZ1 LYS A 294 5.095 -4.940 -8.095 1.00 0.00 H new ATOM 0 HZ2 LYS A 294 4.742 -3.452 -8.834 1.00 0.00 H new ATOM 0 HZ3 LYS A 294 6.321 -3.783 -8.302 1.00 0.00 H new ATOM 43 N ASN A 295 1.271 1.188 -8.272 1.00 0.00 N ATOM 44 CA ASN A 295 0.295 2.270 -8.202 1.00 0.00 C ATOM 45 C ASN A 295 0.985 3.586 -7.860 1.00 0.00 C ATOM 46 O ASN A 295 2.203 3.626 -7.684 1.00 0.00 O ATOM 47 CB ASN A 295 -0.772 1.955 -7.150 1.00 0.00 C ATOM 48 CG ASN A 295 -1.704 0.833 -7.573 1.00 0.00 C ATOM 49 OD1 ASN A 295 -2.880 0.824 -7.213 1.00 0.00 O ATOM 50 ND2 ASN A 295 -1.184 -0.125 -8.333 1.00 0.00 N ATOM 0 H ASN A 295 1.122 0.442 -7.592 1.00 0.00 H new ATOM 0 HA ASN A 295 -0.184 2.365 -9.176 1.00 0.00 H new ATOM 0 HB2 ASN A 295 -0.284 1.682 -6.215 1.00 0.00 H new ATOM 0 HB3 ASN A 295 -1.358 2.853 -6.953 1.00 0.00 H new ATOM 0 HD21 ASN A 295 -1.766 -0.905 -8.639 1.00 0.00 H new ATOM 0 HD22 ASN A 295 -0.203 -0.080 -8.610 1.00 0.00 H new ATOM 57 N GLU A 296 0.210 4.664 -7.765 1.00 0.00 N ATOM 58 CA GLU A 296 0.776 5.966 -7.436 1.00 0.00 C ATOM 59 C GLU A 296 1.468 5.907 -6.080 1.00 0.00 C ATOM 60 O GLU A 296 0.808 5.857 -5.043 1.00 0.00 O ATOM 61 CB GLU A 296 -0.314 7.040 -7.424 1.00 0.00 C ATOM 62 CG GLU A 296 -0.890 7.337 -8.797 1.00 0.00 C ATOM 63 CD GLU A 296 -1.828 8.529 -8.790 1.00 0.00 C ATOM 64 OE1 GLU A 296 -1.334 9.673 -8.883 1.00 0.00 O ATOM 65 OE2 GLU A 296 -3.055 8.319 -8.690 1.00 0.00 O ATOM 0 H GLU A 296 -0.800 4.661 -7.910 1.00 0.00 H new ATOM 0 HA GLU A 296 1.510 6.227 -8.199 1.00 0.00 H new ATOM 0 HB2 GLU A 296 -1.119 6.721 -6.763 1.00 0.00 H new ATOM 0 HB3 GLU A 296 0.097 7.959 -7.005 1.00 0.00 H new ATOM 0 HG2 GLU A 296 -0.075 7.525 -9.496 1.00 0.00 H new ATOM 0 HG3 GLU A 296 -1.426 6.460 -9.160 1.00 0.00 H new ATOM 72 N ASP A 297 2.801 5.900 -6.095 1.00 0.00 N ATOM 73 CA ASP A 297 3.579 5.838 -4.860 1.00 0.00 C ATOM 74 C ASP A 297 3.276 7.035 -3.968 1.00 0.00 C ATOM 75 O ASP A 297 4.006 8.027 -3.971 1.00 0.00 O ATOM 76 CB ASP A 297 5.079 5.785 -5.162 1.00 0.00 C ATOM 77 CG ASP A 297 5.379 5.286 -6.562 1.00 0.00 C ATOM 78 OD1 ASP A 297 5.219 4.071 -6.807 1.00 0.00 O ATOM 79 OD2 ASP A 297 5.777 6.111 -7.412 1.00 0.00 O ATOM 0 H ASP A 297 3.362 5.936 -6.946 1.00 0.00 H new ATOM 0 HA ASP A 297 3.294 4.926 -4.335 1.00 0.00 H new ATOM 0 HB2 ASP A 297 5.506 6.780 -5.037 1.00 0.00 H new ATOM 0 HB3 ASP A 297 5.568 5.135 -4.437 1.00 0.00 H new ATOM 84 N GLU A 298 2.193 6.927 -3.206 1.00 0.00 N ATOM 85 CA GLU A 298 1.768 7.986 -2.302 1.00 0.00 C ATOM 86 C GLU A 298 0.527 7.557 -1.532 1.00 0.00 C ATOM 87 O GLU A 298 -0.326 6.842 -2.059 1.00 0.00 O ATOM 88 CB GLU A 298 1.494 9.276 -3.074 1.00 0.00 C ATOM 89 CG GLU A 298 0.336 9.184 -4.057 1.00 0.00 C ATOM 90 CD GLU A 298 -1.015 9.392 -3.399 1.00 0.00 C ATOM 91 OE1 GLU A 298 -1.239 10.484 -2.837 1.00 0.00 O ATOM 92 OE2 GLU A 298 -1.848 8.462 -3.445 1.00 0.00 O ATOM 0 H GLU A 298 1.588 6.106 -3.198 1.00 0.00 H new ATOM 0 HA GLU A 298 2.573 8.175 -1.592 1.00 0.00 H new ATOM 0 HB2 GLU A 298 1.288 10.075 -2.362 1.00 0.00 H new ATOM 0 HB3 GLU A 298 2.395 9.558 -3.618 1.00 0.00 H new ATOM 0 HG2 GLU A 298 0.471 9.929 -4.841 1.00 0.00 H new ATOM 0 HG3 GLU A 298 0.353 8.207 -4.540 1.00 0.00 H new ATOM 99 N CYS A 299 0.433 7.988 -0.282 1.00 0.00 N ATOM 100 CA CYS A 299 -0.706 7.643 0.558 1.00 0.00 C ATOM 101 C CYS A 299 -1.881 8.579 0.301 1.00 0.00 C ATOM 102 O CYS A 299 -1.852 9.754 0.673 1.00 0.00 O ATOM 103 CB CYS A 299 -0.298 7.688 2.021 1.00 0.00 C ATOM 104 SG CYS A 299 -1.683 7.803 3.191 1.00 0.00 S ATOM 0 H CYS A 299 1.131 8.577 0.173 1.00 0.00 H new ATOM 0 HA CYS A 299 -1.027 6.632 0.308 1.00 0.00 H new ATOM 0 HB2 CYS A 299 0.281 6.793 2.251 1.00 0.00 H new ATOM 0 HB3 CYS A 299 0.361 8.542 2.174 1.00 0.00 H new ATOM 109 N ALA A 300 -2.921 8.029 -0.316 1.00 0.00 N ATOM 110 CA ALA A 300 -4.116 8.788 -0.669 1.00 0.00 C ATOM 111 C ALA A 300 -4.885 9.311 0.547 1.00 0.00 C ATOM 112 O ALA A 300 -5.983 9.846 0.395 1.00 0.00 O ATOM 113 CB ALA A 300 -5.031 7.925 -1.528 1.00 0.00 C ATOM 0 H ALA A 300 -2.960 7.046 -0.585 1.00 0.00 H new ATOM 0 HA ALA A 300 -3.782 9.664 -1.224 1.00 0.00 H new ATOM 0 HB1 ALA A 300 -5.924 8.492 -1.792 1.00 0.00 H new ATOM 0 HB2 ALA A 300 -4.506 7.631 -2.437 1.00 0.00 H new ATOM 0 HB3 ALA A 300 -5.319 7.033 -0.971 1.00 0.00 H new ATOM 119 N VAL A 301 -4.326 9.168 1.748 1.00 0.00 N ATOM 120 CA VAL A 301 -5.014 9.640 2.947 1.00 0.00 C ATOM 121 C VAL A 301 -4.294 10.811 3.622 1.00 0.00 C ATOM 122 O VAL A 301 -4.945 11.687 4.191 1.00 0.00 O ATOM 123 CB VAL A 301 -5.227 8.505 3.980 1.00 0.00 C ATOM 124 CG1 VAL A 301 -4.891 7.157 3.372 1.00 0.00 C ATOM 125 CG2 VAL A 301 -4.426 8.752 5.250 1.00 0.00 C ATOM 0 H VAL A 301 -3.416 8.738 1.915 1.00 0.00 H new ATOM 0 HA VAL A 301 -5.986 9.992 2.600 1.00 0.00 H new ATOM 0 HB VAL A 301 -6.281 8.498 4.257 1.00 0.00 H new ATOM 0 HG11 VAL A 301 -5.047 6.374 4.114 1.00 0.00 H new ATOM 0 HG12 VAL A 301 -5.535 6.975 2.512 1.00 0.00 H new ATOM 0 HG13 VAL A 301 -3.849 7.151 3.053 1.00 0.00 H new ATOM 0 HG21 VAL A 301 -4.598 7.937 5.953 1.00 0.00 H new ATOM 0 HG22 VAL A 301 -3.365 8.803 5.007 1.00 0.00 H new ATOM 0 HG23 VAL A 301 -4.740 9.693 5.701 1.00 0.00 H new ATOM 135 N CYS A 302 -2.960 10.840 3.566 1.00 0.00 N ATOM 136 CA CYS A 302 -2.218 11.919 4.222 1.00 0.00 C ATOM 137 C CYS A 302 -1.077 12.452 3.356 1.00 0.00 C ATOM 138 O CYS A 302 -0.237 13.221 3.824 1.00 0.00 O ATOM 139 CB CYS A 302 -1.701 11.463 5.596 1.00 0.00 C ATOM 140 SG CYS A 302 -0.211 10.409 5.561 1.00 0.00 S ATOM 0 H CYS A 302 -2.384 10.148 3.086 1.00 0.00 H new ATOM 0 HA CYS A 302 -2.914 12.745 4.368 1.00 0.00 H new ATOM 0 HB2 CYS A 302 -1.486 12.347 6.196 1.00 0.00 H new ATOM 0 HB3 CYS A 302 -2.498 10.919 6.103 1.00 0.00 H new ATOM 145 N ARG A 303 -1.067 12.045 2.090 1.00 0.00 N ATOM 146 CA ARG A 303 -0.058 12.491 1.129 1.00 0.00 C ATOM 147 C ARG A 303 1.368 12.378 1.672 1.00 0.00 C ATOM 148 O ARG A 303 2.183 13.279 1.474 1.00 0.00 O ATOM 149 CB ARG A 303 -0.335 13.941 0.719 1.00 0.00 C ATOM 150 CG ARG A 303 -1.732 14.168 0.169 1.00 0.00 C ATOM 151 CD ARG A 303 -1.929 13.443 -1.148 1.00 0.00 C ATOM 152 NE ARG A 303 -3.317 13.490 -1.601 1.00 0.00 N ATOM 153 CZ ARG A 303 -3.676 13.490 -2.882 1.00 0.00 C ATOM 154 NH1 ARG A 303 -2.752 13.458 -3.833 1.00 0.00 N ATOM 155 NH2 ARG A 303 -4.960 13.525 -3.212 1.00 0.00 N ATOM 0 H ARG A 303 -1.754 11.400 1.701 1.00 0.00 H new ATOM 0 HA ARG A 303 -0.130 11.831 0.264 1.00 0.00 H new ATOM 0 HB2 ARG A 303 -0.186 14.588 1.584 1.00 0.00 H new ATOM 0 HB3 ARG A 303 0.394 14.241 -0.033 1.00 0.00 H new ATOM 0 HG2 ARG A 303 -2.471 13.821 0.892 1.00 0.00 H new ATOM 0 HG3 ARG A 303 -1.901 15.236 0.028 1.00 0.00 H new ATOM 0 HD2 ARG A 303 -1.286 13.889 -1.906 1.00 0.00 H new ATOM 0 HD3 ARG A 303 -1.619 12.404 -1.039 1.00 0.00 H new ATOM 0 HE ARG A 303 -4.053 13.525 -0.895 1.00 0.00 H new ATOM 0 HH11 ARG A 303 -1.763 13.433 -3.583 1.00 0.00 H new ATOM 0 HH12 ARG A 303 -3.030 13.458 -4.814 1.00 0.00 H new ATOM 0 HH21 ARG A 303 -5.673 13.552 -2.483 1.00 0.00 H new ATOM 0 HH22 ARG A 303 -5.234 13.525 -4.194 1.00 0.00 H new ATOM 169 N ASP A 304 1.671 11.276 2.349 1.00 0.00 N ATOM 170 CA ASP A 304 3.011 11.069 2.893 1.00 0.00 C ATOM 171 C ASP A 304 3.651 9.818 2.298 1.00 0.00 C ATOM 172 O ASP A 304 3.030 9.111 1.502 1.00 0.00 O ATOM 173 CB ASP A 304 2.972 10.969 4.419 1.00 0.00 C ATOM 174 CG ASP A 304 2.826 12.325 5.083 1.00 0.00 C ATOM 175 OD1 ASP A 304 3.837 13.052 5.175 1.00 0.00 O ATOM 176 OD2 ASP A 304 1.703 12.659 5.514 1.00 0.00 O ATOM 0 H ASP A 304 1.015 10.518 2.534 1.00 0.00 H new ATOM 0 HA ASP A 304 3.618 11.932 2.620 1.00 0.00 H new ATOM 0 HB2 ASP A 304 2.141 10.330 4.718 1.00 0.00 H new ATOM 0 HB3 ASP A 304 3.885 10.491 4.773 1.00 0.00 H new ATOM 181 N GLY A 305 4.896 9.553 2.687 1.00 0.00 N ATOM 182 CA GLY A 305 5.602 8.395 2.171 1.00 0.00 C ATOM 183 C GLY A 305 5.857 7.333 3.222 1.00 0.00 C ATOM 184 O GLY A 305 5.641 7.557 4.413 1.00 0.00 O ATOM 0 H GLY A 305 5.427 10.119 3.349 1.00 0.00 H new ATOM 0 HA2 GLY A 305 5.024 7.959 1.356 1.00 0.00 H new ATOM 0 HA3 GLY A 305 6.555 8.716 1.750 1.00 0.00 H new ATOM 188 N GLY A 306 6.335 6.179 2.768 1.00 0.00 N ATOM 189 CA GLY A 306 6.605 5.065 3.658 1.00 0.00 C ATOM 190 C GLY A 306 6.045 3.778 3.094 1.00 0.00 C ATOM 191 O GLY A 306 5.880 3.658 1.880 1.00 0.00 O ATOM 0 H GLY A 306 6.542 5.995 1.786 1.00 0.00 H new ATOM 0 HA2 GLY A 306 7.680 4.965 3.806 1.00 0.00 H new ATOM 0 HA3 GLY A 306 6.165 5.260 4.636 1.00 0.00 H new ATOM 195 N GLU A 307 5.750 2.807 3.951 1.00 0.00 N ATOM 196 CA GLU A 307 5.187 1.554 3.473 1.00 0.00 C ATOM 197 C GLU A 307 3.688 1.714 3.268 1.00 0.00 C ATOM 198 O GLU A 307 2.938 1.900 4.228 1.00 0.00 O ATOM 199 CB GLU A 307 5.463 0.410 4.451 1.00 0.00 C ATOM 200 CG GLU A 307 5.180 -0.962 3.858 1.00 0.00 C ATOM 201 CD GLU A 307 5.196 -2.071 4.891 1.00 0.00 C ATOM 202 OE1 GLU A 307 6.152 -2.122 5.694 1.00 0.00 O ATOM 203 OE2 GLU A 307 4.251 -2.889 4.896 1.00 0.00 O ATOM 0 H GLU A 307 5.888 2.862 4.960 1.00 0.00 H new ATOM 0 HA GLU A 307 5.663 1.305 2.525 1.00 0.00 H new ATOM 0 HB2 GLU A 307 6.505 0.454 4.768 1.00 0.00 H new ATOM 0 HB3 GLU A 307 4.852 0.547 5.343 1.00 0.00 H new ATOM 0 HG2 GLU A 307 4.207 -0.945 3.367 1.00 0.00 H new ATOM 0 HG3 GLU A 307 5.922 -1.179 3.089 1.00 0.00 H new ATOM 210 N LEU A 308 3.253 1.639 2.016 1.00 0.00 N ATOM 211 CA LEU A 308 1.842 1.789 1.696 1.00 0.00 C ATOM 212 C LEU A 308 1.293 0.535 1.024 1.00 0.00 C ATOM 213 O LEU A 308 2.027 -0.213 0.383 1.00 0.00 O ATOM 214 CB LEU A 308 1.617 2.993 0.777 1.00 0.00 C ATOM 215 CG LEU A 308 2.673 4.091 0.838 1.00 0.00 C ATOM 216 CD1 LEU A 308 2.557 4.993 -0.380 1.00 0.00 C ATOM 217 CD2 LEU A 308 2.505 4.900 2.107 1.00 0.00 C ATOM 0 H LEU A 308 3.856 1.476 1.210 1.00 0.00 H new ATOM 0 HA LEU A 308 1.312 1.948 2.635 1.00 0.00 H new ATOM 0 HB2 LEU A 308 1.555 2.634 -0.250 1.00 0.00 H new ATOM 0 HB3 LEU A 308 0.650 3.433 1.019 1.00 0.00 H new ATOM 0 HG LEU A 308 3.662 3.633 0.842 1.00 0.00 H new ATOM 0 HD11 LEU A 308 3.315 5.774 -0.328 1.00 0.00 H new ATOM 0 HD12 LEU A 308 2.705 4.403 -1.285 1.00 0.00 H new ATOM 0 HD13 LEU A 308 1.567 5.449 -0.402 1.00 0.00 H new ATOM 0 HD21 LEU A 308 3.263 5.682 2.143 1.00 0.00 H new ATOM 0 HD22 LEU A 308 1.514 5.354 2.120 1.00 0.00 H new ATOM 0 HD23 LEU A 308 2.616 4.247 2.972 1.00 0.00 H new ATOM 229 N ILE A 309 -0.009 0.327 1.175 1.00 0.00 N ATOM 230 CA ILE A 309 -0.690 -0.816 0.590 1.00 0.00 C ATOM 231 C ILE A 309 -1.512 -0.371 -0.612 1.00 0.00 C ATOM 232 O ILE A 309 -2.640 0.105 -0.473 1.00 0.00 O ATOM 233 CB ILE A 309 -1.600 -1.503 1.622 1.00 0.00 C ATOM 234 CG1 ILE A 309 -2.417 -2.619 0.971 1.00 0.00 C ATOM 235 CG2 ILE A 309 -2.510 -0.488 2.284 1.00 0.00 C ATOM 236 CD1 ILE A 309 -3.254 -3.400 1.958 1.00 0.00 C ATOM 0 H ILE A 309 -0.620 0.947 1.707 1.00 0.00 H new ATOM 0 HA ILE A 309 0.064 -1.534 0.267 1.00 0.00 H new ATOM 0 HB ILE A 309 -0.969 -1.952 2.389 1.00 0.00 H new ATOM 0 HG12 ILE A 309 -3.070 -2.187 0.213 1.00 0.00 H new ATOM 0 HG13 ILE A 309 -1.741 -3.303 0.457 1.00 0.00 H new ATOM 0 HG21 ILE A 309 -3.147 -0.991 3.011 1.00 0.00 H new ATOM 0 HG22 ILE A 309 -1.907 0.266 2.790 1.00 0.00 H new ATOM 0 HG23 ILE A 309 -3.131 -0.008 1.528 1.00 0.00 H new ATOM 0 HD11 ILE A 309 -3.809 -4.176 1.431 1.00 0.00 H new ATOM 0 HD12 ILE A 309 -2.604 -3.860 2.702 1.00 0.00 H new ATOM 0 HD13 ILE A 309 -3.954 -2.727 2.454 1.00 0.00 H new ATOM 248 N CYS A 310 -0.931 -0.513 -1.792 1.00 0.00 N ATOM 249 CA CYS A 310 -1.598 -0.114 -3.019 1.00 0.00 C ATOM 250 C CYS A 310 -2.920 -0.850 -3.198 1.00 0.00 C ATOM 251 O CYS A 310 -3.060 -2.011 -2.812 1.00 0.00 O ATOM 252 CB CYS A 310 -0.688 -0.365 -4.213 1.00 0.00 C ATOM 253 SG CYS A 310 0.829 0.618 -4.207 1.00 0.00 S ATOM 0 H CYS A 310 0.002 -0.902 -1.926 1.00 0.00 H new ATOM 0 HA CYS A 310 -1.817 0.952 -2.953 1.00 0.00 H new ATOM 0 HB2 CYS A 310 -0.423 -1.422 -4.238 1.00 0.00 H new ATOM 0 HB3 CYS A 310 -1.241 -0.154 -5.128 1.00 0.00 H new ATOM 0 HG CYS A 310 1.536 0.332 -5.260 1.00 0.00 H new ATOM 259 N CYS A 311 -3.886 -0.157 -3.788 1.00 0.00 N ATOM 260 CA CYS A 311 -5.210 -0.715 -4.022 1.00 0.00 C ATOM 261 C CYS A 311 -5.303 -1.361 -5.401 1.00 0.00 C ATOM 262 O CYS A 311 -4.791 -0.828 -6.384 1.00 0.00 O ATOM 263 CB CYS A 311 -6.258 0.388 -3.885 1.00 0.00 C ATOM 264 SG CYS A 311 -7.962 -0.135 -4.251 1.00 0.00 S ATOM 0 H CYS A 311 -3.774 0.802 -4.116 1.00 0.00 H new ATOM 0 HA CYS A 311 -5.395 -1.491 -3.279 1.00 0.00 H new ATOM 0 HB2 CYS A 311 -6.223 0.780 -2.869 1.00 0.00 H new ATOM 0 HB3 CYS A 311 -5.993 1.208 -4.552 1.00 0.00 H new ATOM 269 N ASP A 312 -5.960 -2.516 -5.461 1.00 0.00 N ATOM 270 CA ASP A 312 -6.129 -3.237 -6.717 1.00 0.00 C ATOM 271 C ASP A 312 -7.265 -2.631 -7.533 1.00 0.00 C ATOM 272 O ASP A 312 -7.360 -2.845 -8.742 1.00 0.00 O ATOM 273 CB ASP A 312 -6.409 -4.717 -6.448 1.00 0.00 C ATOM 274 CG ASP A 312 -5.206 -5.440 -5.876 1.00 0.00 C ATOM 275 OD1 ASP A 312 -4.951 -5.302 -4.661 1.00 0.00 O ATOM 276 OD2 ASP A 312 -4.518 -6.146 -6.643 1.00 0.00 O ATOM 0 H ASP A 312 -6.384 -2.972 -4.653 1.00 0.00 H new ATOM 0 HA ASP A 312 -5.205 -3.151 -7.288 1.00 0.00 H new ATOM 0 HB2 ASP A 312 -7.245 -4.805 -5.755 1.00 0.00 H new ATOM 0 HB3 ASP A 312 -6.712 -5.201 -7.376 1.00 0.00 H new ATOM 281 N GLY A 313 -8.126 -1.875 -6.859 1.00 0.00 N ATOM 282 CA GLY A 313 -9.246 -1.242 -7.529 1.00 0.00 C ATOM 283 C GLY A 313 -8.866 0.082 -8.162 1.00 0.00 C ATOM 284 O GLY A 313 -9.367 0.432 -9.231 1.00 0.00 O ATOM 0 H GLY A 313 -8.067 -1.689 -5.858 1.00 0.00 H new ATOM 0 HA2 GLY A 313 -9.632 -1.912 -8.297 1.00 0.00 H new ATOM 0 HA3 GLY A 313 -10.051 -1.081 -6.812 1.00 0.00 H new ATOM 288 N CYS A 314 -7.980 0.821 -7.501 1.00 0.00 N ATOM 289 CA CYS A 314 -7.531 2.110 -8.013 1.00 0.00 C ATOM 290 C CYS A 314 -6.034 2.310 -7.760 1.00 0.00 C ATOM 291 O CYS A 314 -5.455 1.656 -6.895 1.00 0.00 O ATOM 292 CB CYS A 314 -8.336 3.249 -7.380 1.00 0.00 C ATOM 293 SG CYS A 314 -8.134 3.404 -5.577 1.00 0.00 S ATOM 0 H CYS A 314 -7.560 0.550 -6.612 1.00 0.00 H new ATOM 0 HA CYS A 314 -7.698 2.122 -9.090 1.00 0.00 H new ATOM 0 HB2 CYS A 314 -8.042 4.189 -7.848 1.00 0.00 H new ATOM 0 HB3 CYS A 314 -9.392 3.098 -7.603 1.00 0.00 H new ATOM 298 N PRO A 315 -5.394 3.212 -8.534 1.00 0.00 N ATOM 299 CA PRO A 315 -3.952 3.509 -8.421 1.00 0.00 C ATOM 300 C PRO A 315 -3.574 4.279 -7.154 1.00 0.00 C ATOM 301 O PRO A 315 -3.008 5.371 -7.236 1.00 0.00 O ATOM 302 CB PRO A 315 -3.667 4.392 -9.645 1.00 0.00 C ATOM 303 CG PRO A 315 -4.869 4.279 -10.520 1.00 0.00 C ATOM 304 CD PRO A 315 -6.020 4.002 -9.602 1.00 0.00 C ATOM 0 HA PRO A 315 -3.378 2.584 -8.373 1.00 0.00 H new ATOM 0 HB2 PRO A 315 -3.496 5.427 -9.349 1.00 0.00 H new ATOM 0 HB3 PRO A 315 -2.771 4.058 -10.168 1.00 0.00 H new ATOM 0 HG2 PRO A 315 -5.031 5.199 -11.083 1.00 0.00 H new ATOM 0 HG3 PRO A 315 -4.748 3.477 -11.248 1.00 0.00 H new ATOM 0 HD2 PRO A 315 -6.464 4.921 -9.220 1.00 0.00 H new ATOM 0 HD3 PRO A 315 -6.814 3.449 -10.103 1.00 0.00 H new ATOM 312 N ARG A 316 -3.850 3.706 -5.989 1.00 0.00 N ATOM 313 CA ARG A 316 -3.535 4.369 -4.728 1.00 0.00 C ATOM 314 C ARG A 316 -2.689 3.484 -3.820 1.00 0.00 C ATOM 315 O ARG A 316 -2.144 2.472 -4.253 1.00 0.00 O ATOM 316 CB ARG A 316 -4.818 4.767 -4.008 1.00 0.00 C ATOM 317 CG ARG A 316 -5.635 5.804 -4.754 1.00 0.00 C ATOM 318 CD ARG A 316 -6.892 6.161 -3.979 1.00 0.00 C ATOM 319 NE ARG A 316 -8.016 6.467 -4.858 1.00 0.00 N ATOM 320 CZ ARG A 316 -9.280 6.508 -4.448 1.00 0.00 C ATOM 321 NH1 ARG A 316 -9.578 6.260 -3.180 1.00 0.00 N ATOM 322 NH2 ARG A 316 -10.249 6.797 -5.306 1.00 0.00 N ATOM 0 H ARG A 316 -4.288 2.790 -5.890 1.00 0.00 H new ATOM 0 HA ARG A 316 -2.955 5.262 -4.963 1.00 0.00 H new ATOM 0 HB2 ARG A 316 -5.429 3.878 -3.853 1.00 0.00 H new ATOM 0 HB3 ARG A 316 -4.566 5.156 -3.022 1.00 0.00 H new ATOM 0 HG2 ARG A 316 -5.035 6.700 -4.914 1.00 0.00 H new ATOM 0 HG3 ARG A 316 -5.906 5.421 -5.738 1.00 0.00 H new ATOM 0 HD2 ARG A 316 -7.161 5.332 -3.325 1.00 0.00 H new ATOM 0 HD3 ARG A 316 -6.690 7.020 -3.339 1.00 0.00 H new ATOM 0 HE ARG A 316 -7.821 6.660 -5.840 1.00 0.00 H new ATOM 0 HH11 ARG A 316 -8.836 6.037 -2.516 1.00 0.00 H new ATOM 0 HH12 ARG A 316 -10.549 6.292 -2.869 1.00 0.00 H new ATOM 0 HH21 ARG A 316 -10.025 6.988 -6.283 1.00 0.00 H new ATOM 0 HH22 ARG A 316 -11.218 6.828 -4.989 1.00 0.00 H new ATOM 336 N ALA A 317 -2.587 3.896 -2.558 1.00 0.00 N ATOM 337 CA ALA A 317 -1.815 3.178 -1.547 1.00 0.00 C ATOM 338 C ALA A 317 -2.139 3.752 -0.159 1.00 0.00 C ATOM 339 O ALA A 317 -2.369 4.955 -0.034 1.00 0.00 O ATOM 340 CB ALA A 317 -0.332 3.301 -1.855 1.00 0.00 C ATOM 0 H ALA A 317 -3.039 4.740 -2.207 1.00 0.00 H new ATOM 0 HA ALA A 317 -2.079 2.121 -1.557 1.00 0.00 H new ATOM 0 HB1 ALA A 317 0.242 2.765 -1.100 1.00 0.00 H new ATOM 0 HB2 ALA A 317 -0.128 2.874 -2.837 1.00 0.00 H new ATOM 0 HB3 ALA A 317 -0.045 4.353 -1.850 1.00 0.00 H new ATOM 346 N PHE A 318 -2.166 2.912 0.882 1.00 0.00 N ATOM 347 CA PHE A 318 -2.504 3.395 2.232 1.00 0.00 C ATOM 348 C PHE A 318 -1.450 3.018 3.285 1.00 0.00 C ATOM 349 O PHE A 318 -0.805 1.980 3.197 1.00 0.00 O ATOM 350 CB PHE A 318 -3.881 2.852 2.644 1.00 0.00 C ATOM 351 CG PHE A 318 -5.023 3.426 1.862 1.00 0.00 C ATOM 352 CD1 PHE A 318 -5.143 3.173 0.514 1.00 0.00 C ATOM 353 CD2 PHE A 318 -5.980 4.213 2.482 1.00 0.00 C ATOM 354 CE1 PHE A 318 -6.193 3.690 -0.210 1.00 0.00 C ATOM 355 CE2 PHE A 318 -7.036 4.737 1.762 1.00 0.00 C ATOM 356 CZ PHE A 318 -7.143 4.474 0.412 1.00 0.00 C ATOM 0 H PHE A 318 -1.963 1.914 0.823 1.00 0.00 H new ATOM 0 HA PHE A 318 -2.526 4.484 2.189 1.00 0.00 H new ATOM 0 HB2 PHE A 318 -3.882 1.768 2.527 1.00 0.00 H new ATOM 0 HB3 PHE A 318 -4.039 3.058 3.703 1.00 0.00 H new ATOM 0 HD1 PHE A 318 -4.404 2.561 0.018 1.00 0.00 H new ATOM 0 HD2 PHE A 318 -5.900 4.419 3.539 1.00 0.00 H new ATOM 0 HE1 PHE A 318 -6.274 3.482 -1.267 1.00 0.00 H new ATOM 0 HE2 PHE A 318 -7.776 5.351 2.254 1.00 0.00 H new ATOM 0 HZ PHE A 318 -7.967 4.880 -0.156 1.00 0.00 H new ATOM 366 N HIS A 319 -1.302 3.878 4.297 1.00 0.00 N ATOM 367 CA HIS A 319 -0.331 3.660 5.378 1.00 0.00 C ATOM 368 C HIS A 319 -0.836 2.661 6.412 1.00 0.00 C ATOM 369 O HIS A 319 -0.566 2.822 7.601 1.00 0.00 O ATOM 370 CB HIS A 319 -0.048 4.971 6.106 1.00 0.00 C ATOM 371 CG HIS A 319 1.114 5.749 5.599 1.00 0.00 C ATOM 372 ND1 HIS A 319 1.008 7.079 5.271 1.00 0.00 N ATOM 373 CD2 HIS A 319 2.406 5.407 5.403 1.00 0.00 C ATOM 374 CE1 HIS A 319 2.192 7.530 4.897 1.00 0.00 C ATOM 375 NE2 HIS A 319 3.057 6.534 4.968 1.00 0.00 N ATOM 0 H HIS A 319 -1.845 4.737 4.392 1.00 0.00 H new ATOM 0 HA HIS A 319 0.571 3.267 4.909 1.00 0.00 H new ATOM 0 HB2 HIS A 319 -0.937 5.599 6.046 1.00 0.00 H new ATOM 0 HB3 HIS A 319 0.117 4.752 7.161 1.00 0.00 H new ATOM 0 HD2 HIS A 319 2.843 4.432 5.559 1.00 0.00 H new ATOM 0 HE1 HIS A 319 2.415 8.540 4.586 1.00 0.00 H new ATOM 0 HE2 HIS A 319 4.049 6.593 4.737 1.00 0.00 H new ATOM 383 N LEU A 320 -1.570 1.646 5.975 1.00 0.00 N ATOM 384 CA LEU A 320 -2.096 0.639 6.894 1.00 0.00 C ATOM 385 C LEU A 320 -3.085 1.262 7.868 1.00 0.00 C ATOM 386 O LEU A 320 -4.298 1.127 7.713 1.00 0.00 O ATOM 387 CB LEU A 320 -0.957 -0.015 7.674 1.00 0.00 C ATOM 388 CG LEU A 320 0.138 -0.671 6.831 1.00 0.00 C ATOM 389 CD1 LEU A 320 0.593 -1.953 7.479 1.00 0.00 C ATOM 390 CD2 LEU A 320 -0.354 -0.945 5.426 1.00 0.00 C ATOM 0 H LEU A 320 -1.815 1.496 4.996 1.00 0.00 H new ATOM 0 HA LEU A 320 -2.611 -0.119 6.304 1.00 0.00 H new ATOM 0 HB2 LEU A 320 -0.496 0.741 8.309 1.00 0.00 H new ATOM 0 HB3 LEU A 320 -1.382 -0.770 8.335 1.00 0.00 H new ATOM 0 HG LEU A 320 0.981 0.017 6.771 1.00 0.00 H new ATOM 0 HD11 LEU A 320 1.372 -2.412 6.871 1.00 0.00 H new ATOM 0 HD12 LEU A 320 0.987 -1.739 8.472 1.00 0.00 H new ATOM 0 HD13 LEU A 320 -0.251 -2.638 7.563 1.00 0.00 H new ATOM 0 HD21 LEU A 320 0.442 -1.411 4.846 1.00 0.00 H new ATOM 0 HD22 LEU A 320 -1.214 -1.614 5.466 1.00 0.00 H new ATOM 0 HD23 LEU A 320 -0.645 -0.007 4.953 1.00 0.00 H new ATOM 402 N ALA A 321 -2.551 1.939 8.877 1.00 0.00 N ATOM 403 CA ALA A 321 -3.368 2.598 9.880 1.00 0.00 C ATOM 404 C ALA A 321 -4.049 3.829 9.298 1.00 0.00 C ATOM 405 O ALA A 321 -4.989 4.367 9.883 1.00 0.00 O ATOM 406 CB ALA A 321 -2.518 2.973 11.082 1.00 0.00 C ATOM 0 H ALA A 321 -1.547 2.045 9.020 1.00 0.00 H new ATOM 0 HA ALA A 321 -4.145 1.906 10.204 1.00 0.00 H new ATOM 0 HB1 ALA A 321 -3.141 3.467 11.828 1.00 0.00 H new ATOM 0 HB2 ALA A 321 -2.080 2.073 11.513 1.00 0.00 H new ATOM 0 HB3 ALA A 321 -1.723 3.649 10.768 1.00 0.00 H new ATOM 412 N CYS A 322 -3.568 4.271 8.137 1.00 0.00 N ATOM 413 CA CYS A 322 -4.149 5.441 7.471 1.00 0.00 C ATOM 414 C CYS A 322 -5.479 5.071 6.829 1.00 0.00 C ATOM 415 O CYS A 322 -6.184 5.919 6.281 1.00 0.00 O ATOM 416 CB CYS A 322 -3.199 6.004 6.412 1.00 0.00 C ATOM 417 SG CYS A 322 -2.103 7.341 7.015 1.00 0.00 S ATOM 0 H CYS A 322 -2.786 3.844 7.641 1.00 0.00 H new ATOM 0 HA CYS A 322 -4.313 6.211 8.225 1.00 0.00 H new ATOM 0 HB2 CYS A 322 -2.583 5.192 6.025 1.00 0.00 H new ATOM 0 HB3 CYS A 322 -3.788 6.383 5.577 1.00 0.00 H new ATOM 422 N LEU A 323 -5.805 3.789 6.906 1.00 0.00 N ATOM 423 CA LEU A 323 -7.043 3.259 6.351 1.00 0.00 C ATOM 424 C LEU A 323 -8.190 3.464 7.325 1.00 0.00 C ATOM 425 O LEU A 323 -7.953 3.681 8.514 1.00 0.00 O ATOM 426 CB LEU A 323 -6.884 1.760 6.100 1.00 0.00 C ATOM 427 CG LEU A 323 -6.345 1.370 4.740 1.00 0.00 C ATOM 428 CD1 LEU A 323 -5.746 -0.021 4.799 1.00 0.00 C ATOM 429 CD2 LEU A 323 -7.452 1.433 3.713 1.00 0.00 C ATOM 0 H LEU A 323 -5.218 3.086 7.355 1.00 0.00 H new ATOM 0 HA LEU A 323 -7.259 3.782 5.419 1.00 0.00 H new ATOM 0 HB2 LEU A 323 -6.221 1.352 6.863 1.00 0.00 H new ATOM 0 HB3 LEU A 323 -7.855 1.284 6.234 1.00 0.00 H new ATOM 0 HG LEU A 323 -5.561 2.069 4.449 1.00 0.00 H new ATOM 0 HD11 LEU A 323 -5.361 -0.293 3.816 1.00 0.00 H new ATOM 0 HD12 LEU A 323 -4.933 -0.036 5.525 1.00 0.00 H new ATOM 0 HD13 LEU A 323 -6.513 -0.735 5.099 1.00 0.00 H new ATOM 0 HD21 LEU A 323 -7.059 1.151 2.736 1.00 0.00 H new ATOM 0 HD22 LEU A 323 -8.249 0.745 3.995 1.00 0.00 H new ATOM 0 HD23 LEU A 323 -7.847 2.448 3.666 1.00 0.00 H new ATOM 441 N SER A 324 -9.433 3.413 6.836 1.00 0.00 N ATOM 442 CA SER A 324 -10.564 3.535 7.746 1.00 0.00 C ATOM 443 C SER A 324 -10.340 2.500 8.843 1.00 0.00 C ATOM 444 O SER A 324 -10.336 2.836 10.028 1.00 0.00 O ATOM 445 CB SER A 324 -11.910 3.353 7.029 1.00 0.00 C ATOM 446 OG SER A 324 -12.240 4.502 6.268 1.00 0.00 O ATOM 0 H SER A 324 -9.672 3.293 5.852 1.00 0.00 H new ATOM 0 HA SER A 324 -10.617 4.538 8.170 1.00 0.00 H new ATOM 0 HB2 SER A 324 -11.863 2.481 6.376 1.00 0.00 H new ATOM 0 HB3 SER A 324 -12.693 3.161 7.762 1.00 0.00 H new ATOM 0 HG SER A 324 -13.100 4.361 5.820 1.00 0.00 H new ATOM 452 N PRO A 325 -10.141 1.215 8.462 1.00 0.00 N ATOM 453 CA PRO A 325 -9.791 0.165 9.385 1.00 0.00 C ATOM 454 C PRO A 325 -8.294 -0.101 9.249 1.00 0.00 C ATOM 455 O PRO A 325 -7.809 -0.349 8.145 1.00 0.00 O ATOM 456 CB PRO A 325 -10.612 -1.006 8.877 1.00 0.00 C ATOM 457 CG PRO A 325 -10.746 -0.780 7.397 1.00 0.00 C ATOM 458 CD PRO A 325 -10.302 0.641 7.114 1.00 0.00 C ATOM 0 HA PRO A 325 -9.985 0.380 10.436 1.00 0.00 H new ATOM 0 HB2 PRO A 325 -10.118 -1.954 9.087 1.00 0.00 H new ATOM 0 HB3 PRO A 325 -11.588 -1.041 9.360 1.00 0.00 H new ATOM 0 HG2 PRO A 325 -10.133 -1.491 6.843 1.00 0.00 H new ATOM 0 HG3 PRO A 325 -11.777 -0.931 7.077 1.00 0.00 H new ATOM 0 HD2 PRO A 325 -9.369 0.667 6.551 1.00 0.00 H new ATOM 0 HD3 PRO A 325 -11.043 1.186 6.529 1.00 0.00 H new ATOM 466 N PRO A 326 -7.534 -0.068 10.343 1.00 0.00 N ATOM 467 CA PRO A 326 -6.090 -0.237 10.273 1.00 0.00 C ATOM 468 C PRO A 326 -5.655 -1.682 10.130 1.00 0.00 C ATOM 469 O PRO A 326 -6.175 -2.580 10.791 1.00 0.00 O ATOM 470 CB PRO A 326 -5.623 0.355 11.582 1.00 0.00 C ATOM 471 CG PRO A 326 -6.721 0.040 12.532 1.00 0.00 C ATOM 472 CD PRO A 326 -8.003 0.077 11.730 1.00 0.00 C ATOM 0 HA PRO A 326 -5.664 0.242 9.391 1.00 0.00 H new ATOM 0 HB2 PRO A 326 -4.679 -0.084 11.904 1.00 0.00 H new ATOM 0 HB3 PRO A 326 -5.463 1.430 11.499 1.00 0.00 H new ATOM 0 HG2 PRO A 326 -6.574 -0.941 12.984 1.00 0.00 H new ATOM 0 HG3 PRO A 326 -6.751 0.765 13.346 1.00 0.00 H new ATOM 0 HD2 PRO A 326 -8.679 -0.730 12.013 1.00 0.00 H new ATOM 0 HD3 PRO A 326 -8.543 1.012 11.877 1.00 0.00 H new ATOM 480 N LEU A 327 -4.689 -1.882 9.249 1.00 0.00 N ATOM 481 CA LEU A 327 -4.152 -3.197 8.969 1.00 0.00 C ATOM 482 C LEU A 327 -3.090 -3.601 9.979 1.00 0.00 C ATOM 483 O LEU A 327 -1.893 -3.471 9.719 1.00 0.00 O ATOM 484 CB LEU A 327 -3.562 -3.219 7.565 1.00 0.00 C ATOM 485 CG LEU A 327 -4.467 -2.633 6.498 1.00 0.00 C ATOM 486 CD1 LEU A 327 -3.767 -2.594 5.162 1.00 0.00 C ATOM 487 CD2 LEU A 327 -5.742 -3.436 6.407 1.00 0.00 C ATOM 0 H LEU A 327 -4.256 -1.133 8.708 1.00 0.00 H new ATOM 0 HA LEU A 327 -4.969 -3.915 9.042 1.00 0.00 H new ATOM 0 HB2 LEU A 327 -2.622 -2.668 7.570 1.00 0.00 H new ATOM 0 HB3 LEU A 327 -3.326 -4.249 7.299 1.00 0.00 H new ATOM 0 HG LEU A 327 -4.715 -1.609 6.776 1.00 0.00 H new ATOM 0 HD11 LEU A 327 -4.436 -2.170 4.413 1.00 0.00 H new ATOM 0 HD12 LEU A 327 -2.871 -1.978 5.239 1.00 0.00 H new ATOM 0 HD13 LEU A 327 -3.488 -3.606 4.868 1.00 0.00 H new ATOM 0 HD21 LEU A 327 -6.387 -3.009 5.639 1.00 0.00 H new ATOM 0 HD22 LEU A 327 -5.504 -4.468 6.149 1.00 0.00 H new ATOM 0 HD23 LEU A 327 -6.257 -3.411 7.367 1.00 0.00 H new ATOM 499 N ARG A 328 -3.533 -4.076 11.139 1.00 0.00 N ATOM 500 CA ARG A 328 -2.613 -4.541 12.172 1.00 0.00 C ATOM 501 C ARG A 328 -1.633 -5.523 11.546 1.00 0.00 C ATOM 502 O ARG A 328 -0.538 -5.764 12.056 1.00 0.00 O ATOM 503 CB ARG A 328 -3.389 -5.228 13.291 1.00 0.00 C ATOM 504 CG ARG A 328 -2.528 -5.686 14.445 1.00 0.00 C ATOM 505 CD ARG A 328 -3.345 -6.428 15.490 1.00 0.00 C ATOM 506 NE ARG A 328 -2.520 -6.890 16.603 1.00 0.00 N ATOM 507 CZ ARG A 328 -2.975 -7.655 17.592 1.00 0.00 C ATOM 508 NH1 ARG A 328 -4.243 -8.045 17.605 1.00 0.00 N ATOM 509 NH2 ARG A 328 -2.161 -8.030 18.569 1.00 0.00 N ATOM 0 H ARG A 328 -4.520 -4.149 11.387 1.00 0.00 H new ATOM 0 HA ARG A 328 -2.072 -3.693 12.593 1.00 0.00 H new ATOM 0 HB2 ARG A 328 -4.148 -4.542 13.667 1.00 0.00 H new ATOM 0 HB3 ARG A 328 -3.914 -6.089 12.879 1.00 0.00 H new ATOM 0 HG2 ARG A 328 -1.735 -6.335 14.073 1.00 0.00 H new ATOM 0 HG3 ARG A 328 -2.045 -4.824 14.904 1.00 0.00 H new ATOM 0 HD2 ARG A 328 -4.130 -5.773 15.868 1.00 0.00 H new ATOM 0 HD3 ARG A 328 -3.838 -7.282 15.025 1.00 0.00 H new ATOM 0 HE ARG A 328 -1.539 -6.610 16.623 1.00 0.00 H new ATOM 0 HH11 ARG A 328 -4.872 -7.758 16.855 1.00 0.00 H new ATOM 0 HH12 ARG A 328 -4.588 -8.631 18.365 1.00 0.00 H new ATOM 0 HH21 ARG A 328 -1.186 -7.732 18.563 1.00 0.00 H new ATOM 0 HH22 ARG A 328 -2.510 -8.616 19.327 1.00 0.00 H new ATOM 523 N GLU A 329 -2.067 -6.077 10.423 1.00 0.00 N ATOM 524 CA GLU A 329 -1.287 -7.031 9.653 1.00 0.00 C ATOM 525 C GLU A 329 -1.831 -7.079 8.232 1.00 0.00 C ATOM 526 O GLU A 329 -2.982 -7.454 8.005 1.00 0.00 O ATOM 527 CB GLU A 329 -1.326 -8.415 10.301 1.00 0.00 C ATOM 528 CG GLU A 329 -2.732 -8.903 10.586 1.00 0.00 C ATOM 529 CD GLU A 329 -2.770 -10.343 11.059 1.00 0.00 C ATOM 530 OE1 GLU A 329 -2.629 -10.570 12.279 1.00 0.00 O ATOM 531 OE2 GLU A 329 -2.942 -11.242 10.210 1.00 0.00 O ATOM 0 H GLU A 329 -2.981 -5.874 10.018 1.00 0.00 H new ATOM 0 HA GLU A 329 -0.245 -6.713 9.630 1.00 0.00 H new ATOM 0 HB2 GLU A 329 -0.826 -9.129 9.647 1.00 0.00 H new ATOM 0 HB3 GLU A 329 -0.762 -8.388 11.233 1.00 0.00 H new ATOM 0 HG2 GLU A 329 -3.187 -8.265 11.343 1.00 0.00 H new ATOM 0 HG3 GLU A 329 -3.335 -8.806 9.683 1.00 0.00 H new ATOM 538 N ILE A 330 -0.994 -6.679 7.284 1.00 0.00 N ATOM 539 CA ILE A 330 -1.375 -6.622 5.882 1.00 0.00 C ATOM 540 C ILE A 330 -2.217 -7.815 5.422 1.00 0.00 C ATOM 541 O ILE A 330 -1.887 -8.972 5.683 1.00 0.00 O ATOM 542 CB ILE A 330 -0.135 -6.465 4.976 1.00 0.00 C ATOM 543 CG1 ILE A 330 0.438 -5.056 5.144 1.00 0.00 C ATOM 544 CG2 ILE A 330 -0.485 -6.726 3.514 1.00 0.00 C ATOM 545 CD1 ILE A 330 -0.583 -3.977 4.914 1.00 0.00 C ATOM 0 H ILE A 330 -0.034 -6.386 7.466 1.00 0.00 H new ATOM 0 HA ILE A 330 -2.009 -5.740 5.787 1.00 0.00 H new ATOM 0 HB ILE A 330 0.612 -7.201 5.273 1.00 0.00 H new ATOM 0 HG12 ILE A 330 0.847 -4.953 6.149 1.00 0.00 H new ATOM 0 HG13 ILE A 330 1.265 -4.920 4.447 1.00 0.00 H new ATOM 0 HG21 ILE A 330 0.408 -6.608 2.900 1.00 0.00 H new ATOM 0 HG22 ILE A 330 -0.868 -7.741 3.407 1.00 0.00 H new ATOM 0 HG23 ILE A 330 -1.245 -6.015 3.189 1.00 0.00 H new ATOM 0 HD11 ILE A 330 -0.117 -3.001 5.047 1.00 0.00 H new ATOM 0 HD12 ILE A 330 -0.974 -4.057 3.900 1.00 0.00 H new ATOM 0 HD13 ILE A 330 -1.399 -4.090 5.628 1.00 0.00 H new ATOM 557 N PRO A 331 -3.331 -7.509 4.723 1.00 0.00 N ATOM 558 CA PRO A 331 -4.268 -8.506 4.177 1.00 0.00 C ATOM 559 C PRO A 331 -3.570 -9.589 3.358 1.00 0.00 C ATOM 560 O PRO A 331 -2.362 -9.529 3.130 1.00 0.00 O ATOM 561 CB PRO A 331 -5.172 -7.668 3.277 1.00 0.00 C ATOM 562 CG PRO A 331 -5.151 -6.319 3.895 1.00 0.00 C ATOM 563 CD PRO A 331 -3.770 -6.135 4.423 1.00 0.00 C ATOM 0 HA PRO A 331 -4.791 -9.046 4.966 1.00 0.00 H new ATOM 0 HB2 PRO A 331 -4.801 -7.643 2.252 1.00 0.00 H new ATOM 0 HB3 PRO A 331 -6.183 -8.073 3.240 1.00 0.00 H new ATOM 0 HG2 PRO A 331 -5.395 -5.550 3.162 1.00 0.00 H new ATOM 0 HG3 PRO A 331 -5.888 -6.244 4.694 1.00 0.00 H new ATOM 0 HD2 PRO A 331 -3.120 -5.657 3.690 1.00 0.00 H new ATOM 0 HD3 PRO A 331 -3.761 -5.507 5.314 1.00 0.00 H new ATOM 571 N SER A 332 -4.344 -10.572 2.906 1.00 0.00 N ATOM 572 CA SER A 332 -3.800 -11.669 2.114 1.00 0.00 C ATOM 573 C SER A 332 -4.281 -11.601 0.668 1.00 0.00 C ATOM 574 O SER A 332 -5.432 -11.253 0.402 1.00 0.00 O ATOM 575 CB SER A 332 -4.186 -13.008 2.731 1.00 0.00 C ATOM 576 OG SER A 332 -3.954 -14.074 1.827 1.00 0.00 O ATOM 0 H SER A 332 -5.348 -10.631 3.075 1.00 0.00 H new ATOM 0 HA SER A 332 -2.714 -11.575 2.114 1.00 0.00 H new ATOM 0 HB2 SER A 332 -3.612 -13.170 3.643 1.00 0.00 H new ATOM 0 HB3 SER A 332 -5.238 -12.991 3.015 1.00 0.00 H new ATOM 0 HG SER A 332 -4.208 -14.921 2.248 1.00 0.00 H new ATOM 582 N GLY A 333 -3.391 -11.938 -0.262 1.00 0.00 N ATOM 583 CA GLY A 333 -3.739 -11.912 -1.671 1.00 0.00 C ATOM 584 C GLY A 333 -4.085 -10.519 -2.159 1.00 0.00 C ATOM 585 O GLY A 333 -3.351 -9.564 -1.902 1.00 0.00 O ATOM 0 H GLY A 333 -2.434 -12.229 -0.064 1.00 0.00 H new ATOM 0 HA2 GLY A 333 -2.905 -12.301 -2.255 1.00 0.00 H new ATOM 0 HA3 GLY A 333 -4.586 -12.575 -1.845 1.00 0.00 H new ATOM 589 N THR A 334 -5.207 -10.406 -2.867 1.00 0.00 N ATOM 590 CA THR A 334 -5.655 -9.121 -3.394 1.00 0.00 C ATOM 591 C THR A 334 -6.075 -8.185 -2.266 1.00 0.00 C ATOM 592 O THR A 334 -6.018 -8.552 -1.092 1.00 0.00 O ATOM 593 CB THR A 334 -6.837 -9.294 -4.366 1.00 0.00 C ATOM 594 OG1 THR A 334 -7.955 -9.874 -3.682 1.00 0.00 O ATOM 595 CG2 THR A 334 -6.445 -10.176 -5.542 1.00 0.00 C ATOM 0 H THR A 334 -5.822 -11.189 -3.088 1.00 0.00 H new ATOM 0 HA THR A 334 -4.812 -8.687 -3.932 1.00 0.00 H new ATOM 0 HB THR A 334 -7.114 -8.310 -4.744 1.00 0.00 H new ATOM 0 HG1 THR A 334 -8.702 -9.979 -4.307 1.00 0.00 H new ATOM 0 HG21 THR A 334 -7.295 -10.284 -6.215 1.00 0.00 H new ATOM 0 HG22 THR A 334 -5.613 -9.719 -6.078 1.00 0.00 H new ATOM 0 HG23 THR A 334 -6.145 -11.158 -5.176 1.00 0.00 H new ATOM 603 N TRP A 335 -6.502 -6.977 -2.628 1.00 0.00 N ATOM 604 CA TRP A 335 -6.929 -5.993 -1.640 1.00 0.00 C ATOM 605 C TRP A 335 -7.529 -4.756 -2.302 1.00 0.00 C ATOM 606 O TRP A 335 -7.090 -4.333 -3.371 1.00 0.00 O ATOM 607 CB TRP A 335 -5.753 -5.574 -0.759 1.00 0.00 C ATOM 608 CG TRP A 335 -6.125 -4.558 0.277 1.00 0.00 C ATOM 609 CD1 TRP A 335 -6.638 -4.804 1.517 1.00 0.00 C ATOM 610 CD2 TRP A 335 -6.018 -3.133 0.162 1.00 0.00 C ATOM 611 NE1 TRP A 335 -6.844 -3.619 2.185 1.00 0.00 N ATOM 612 CE2 TRP A 335 -6.476 -2.583 1.373 1.00 0.00 C ATOM 613 CE3 TRP A 335 -5.576 -2.268 -0.844 1.00 0.00 C ATOM 614 CZ2 TRP A 335 -6.503 -1.214 1.607 1.00 0.00 C ATOM 615 CZ3 TRP A 335 -5.607 -0.906 -0.611 1.00 0.00 C ATOM 616 CH2 TRP A 335 -6.066 -0.391 0.607 1.00 0.00 C ATOM 0 H TRP A 335 -6.561 -6.658 -3.595 1.00 0.00 H new ATOM 0 HA TRP A 335 -7.697 -6.464 -1.026 1.00 0.00 H new ATOM 0 HB2 TRP A 335 -5.346 -6.456 -0.264 1.00 0.00 H new ATOM 0 HB3 TRP A 335 -4.962 -5.168 -1.389 1.00 0.00 H new ATOM 0 HD1 TRP A 335 -6.851 -5.785 1.916 1.00 0.00 H new ATOM 0 HE1 TRP A 335 -7.212 -3.528 3.132 1.00 0.00 H new ATOM 0 HE3 TRP A 335 -5.217 -2.657 -1.785 1.00 0.00 H new ATOM 0 HZ2 TRP A 335 -6.857 -0.814 2.546 1.00 0.00 H new ATOM 0 HZ3 TRP A 335 -5.271 -0.228 -1.382 1.00 0.00 H new ATOM 0 HH2 TRP A 335 -6.075 0.678 0.760 1.00 0.00 H new ATOM 627 N ARG A 336 -8.540 -4.185 -1.654 1.00 0.00 N ATOM 628 CA ARG A 336 -9.199 -2.990 -2.154 1.00 0.00 C ATOM 629 C ARG A 336 -9.298 -1.932 -1.064 1.00 0.00 C ATOM 630 O ARG A 336 -9.279 -2.250 0.125 1.00 0.00 O ATOM 631 CB ARG A 336 -10.594 -3.342 -2.651 1.00 0.00 C ATOM 632 CG ARG A 336 -10.592 -4.197 -3.897 1.00 0.00 C ATOM 633 CD ARG A 336 -11.951 -4.160 -4.550 1.00 0.00 C ATOM 634 NE ARG A 336 -12.200 -5.340 -5.373 1.00 0.00 N ATOM 635 CZ ARG A 336 -12.655 -5.288 -6.622 1.00 0.00 C ATOM 636 NH1 ARG A 336 -12.913 -4.118 -7.190 1.00 0.00 N ATOM 637 NH2 ARG A 336 -12.851 -6.408 -7.303 1.00 0.00 N ATOM 0 H ARG A 336 -8.921 -4.536 -0.775 1.00 0.00 H new ATOM 0 HA ARG A 336 -8.607 -2.588 -2.976 1.00 0.00 H new ATOM 0 HB2 ARG A 336 -11.131 -3.867 -1.861 1.00 0.00 H new ATOM 0 HB3 ARG A 336 -11.142 -2.422 -2.852 1.00 0.00 H new ATOM 0 HG2 ARG A 336 -9.835 -3.837 -4.594 1.00 0.00 H new ATOM 0 HG3 ARG A 336 -10.329 -5.224 -3.643 1.00 0.00 H new ATOM 0 HD2 ARG A 336 -12.720 -4.087 -3.781 1.00 0.00 H new ATOM 0 HD3 ARG A 336 -12.031 -3.265 -5.167 1.00 0.00 H new ATOM 0 HE ARG A 336 -12.014 -6.257 -4.967 1.00 0.00 H new ATOM 0 HH11 ARG A 336 -12.763 -3.254 -6.669 1.00 0.00 H new ATOM 0 HH12 ARG A 336 -13.262 -4.082 -8.148 1.00 0.00 H new ATOM 0 HH21 ARG A 336 -12.653 -7.310 -6.869 1.00 0.00 H new ATOM 0 HH22 ARG A 336 -13.200 -6.368 -8.261 1.00 0.00 H new ATOM 651 N CYS A 337 -9.408 -0.675 -1.475 1.00 0.00 N ATOM 652 CA CYS A 337 -9.522 0.424 -0.526 1.00 0.00 C ATOM 653 C CYS A 337 -10.987 0.660 -0.193 1.00 0.00 C ATOM 654 O CYS A 337 -11.864 0.183 -0.902 1.00 0.00 O ATOM 655 CB CYS A 337 -8.896 1.697 -1.091 1.00 0.00 C ATOM 656 SG CYS A 337 -9.904 2.512 -2.366 1.00 0.00 S ATOM 0 H CYS A 337 -9.421 -0.392 -2.455 1.00 0.00 H new ATOM 0 HA CYS A 337 -8.984 0.158 0.384 1.00 0.00 H new ATOM 0 HB2 CYS A 337 -8.724 2.399 -0.275 1.00 0.00 H new ATOM 0 HB3 CYS A 337 -7.921 1.454 -1.513 1.00 0.00 H new ATOM 661 N SER A 338 -11.245 1.404 0.875 1.00 0.00 N ATOM 662 CA SER A 338 -12.615 1.677 1.317 1.00 0.00 C ATOM 663 C SER A 338 -13.566 2.011 0.164 1.00 0.00 C ATOM 664 O SER A 338 -14.677 1.486 0.108 1.00 0.00 O ATOM 665 CB SER A 338 -12.624 2.806 2.343 1.00 0.00 C ATOM 666 OG SER A 338 -13.921 3.356 2.487 1.00 0.00 O ATOM 0 H SER A 338 -10.524 1.832 1.456 1.00 0.00 H new ATOM 0 HA SER A 338 -12.982 0.757 1.772 1.00 0.00 H new ATOM 0 HB2 SER A 338 -12.277 2.429 3.305 1.00 0.00 H new ATOM 0 HB3 SER A 338 -11.927 3.586 2.036 1.00 0.00 H new ATOM 0 HG SER A 338 -13.899 4.076 3.151 1.00 0.00 H new ATOM 672 N SER A 339 -13.144 2.882 -0.750 1.00 0.00 N ATOM 673 CA SER A 339 -13.995 3.268 -1.874 1.00 0.00 C ATOM 674 C SER A 339 -14.323 2.078 -2.775 1.00 0.00 C ATOM 675 O SER A 339 -15.493 1.746 -2.976 1.00 0.00 O ATOM 676 CB SER A 339 -13.340 4.377 -2.684 1.00 0.00 C ATOM 677 OG SER A 339 -12.128 3.947 -3.272 1.00 0.00 O ATOM 0 H SER A 339 -12.228 3.330 -0.736 1.00 0.00 H new ATOM 0 HA SER A 339 -14.933 3.637 -1.459 1.00 0.00 H new ATOM 0 HB2 SER A 339 -14.024 4.712 -3.464 1.00 0.00 H new ATOM 0 HB3 SER A 339 -13.148 5.234 -2.039 1.00 0.00 H new ATOM 0 HG SER A 339 -11.507 3.662 -2.570 1.00 0.00 H new ATOM 683 N CYS A 340 -13.290 1.433 -3.311 1.00 0.00 N ATOM 684 CA CYS A 340 -13.473 0.290 -4.186 1.00 0.00 C ATOM 685 C CYS A 340 -14.105 -0.867 -3.422 1.00 0.00 C ATOM 686 O CYS A 340 -14.584 -1.836 -4.011 1.00 0.00 O ATOM 687 CB CYS A 340 -12.129 -0.140 -4.775 1.00 0.00 C ATOM 688 SG CYS A 340 -11.230 1.185 -5.649 1.00 0.00 S ATOM 0 H CYS A 340 -12.315 1.688 -3.151 1.00 0.00 H new ATOM 0 HA CYS A 340 -14.140 0.576 -4.999 1.00 0.00 H new ATOM 0 HB2 CYS A 340 -11.499 -0.521 -3.971 1.00 0.00 H new ATOM 0 HB3 CYS A 340 -12.297 -0.966 -5.467 1.00 0.00 H new ATOM 693 N LEU A 341 -14.098 -0.744 -2.101 1.00 0.00 N ATOM 694 CA LEU A 341 -14.656 -1.754 -1.218 1.00 0.00 C ATOM 695 C LEU A 341 -16.171 -1.650 -1.148 1.00 0.00 C ATOM 696 O LEU A 341 -16.884 -2.619 -1.411 1.00 0.00 O ATOM 697 CB LEU A 341 -14.044 -1.608 0.168 1.00 0.00 C ATOM 698 CG LEU A 341 -12.729 -2.357 0.374 1.00 0.00 C ATOM 699 CD1 LEU A 341 -12.075 -1.949 1.677 1.00 0.00 C ATOM 700 CD2 LEU A 341 -12.973 -3.850 0.333 1.00 0.00 C ATOM 0 H LEU A 341 -13.704 0.061 -1.613 1.00 0.00 H new ATOM 0 HA LEU A 341 -14.415 -2.739 -1.618 1.00 0.00 H new ATOM 0 HB2 LEU A 341 -13.877 -0.549 0.365 1.00 0.00 H new ATOM 0 HB3 LEU A 341 -14.765 -1.960 0.906 1.00 0.00 H new ATOM 0 HG LEU A 341 -12.046 -2.095 -0.434 1.00 0.00 H new ATOM 0 HD11 LEU A 341 -11.140 -2.496 1.802 1.00 0.00 H new ATOM 0 HD12 LEU A 341 -11.870 -0.879 1.662 1.00 0.00 H new ATOM 0 HD13 LEU A 341 -12.743 -2.179 2.507 1.00 0.00 H new ATOM 0 HD21 LEU A 341 -12.030 -4.377 0.481 1.00 0.00 H new ATOM 0 HD22 LEU A 341 -13.671 -4.126 1.123 1.00 0.00 H new ATOM 0 HD23 LEU A 341 -13.394 -4.123 -0.635 1.00 0.00 H new ATOM 712 N GLN A 342 -16.658 -0.472 -0.789 1.00 0.00 N ATOM 713 CA GLN A 342 -18.093 -0.240 -0.697 1.00 0.00 C ATOM 714 C GLN A 342 -18.744 -0.403 -2.063 1.00 0.00 C ATOM 715 O GLN A 342 -19.945 -0.655 -2.167 1.00 0.00 O ATOM 716 CB GLN A 342 -18.378 1.149 -0.143 1.00 0.00 C ATOM 717 CG GLN A 342 -17.694 2.241 -0.928 1.00 0.00 C ATOM 718 CD GLN A 342 -18.465 3.548 -0.926 1.00 0.00 C ATOM 719 OE1 GLN A 342 -18.411 4.313 -1.889 1.00 0.00 O ATOM 720 NE2 GLN A 342 -19.184 3.813 0.159 1.00 0.00 N ATOM 0 H GLN A 342 -16.083 0.338 -0.557 1.00 0.00 H new ATOM 0 HA GLN A 342 -18.516 -0.978 -0.015 1.00 0.00 H new ATOM 0 HB2 GLN A 342 -19.454 1.324 -0.147 1.00 0.00 H new ATOM 0 HB3 GLN A 342 -18.052 1.195 0.896 1.00 0.00 H new ATOM 0 HG2 GLN A 342 -16.701 2.411 -0.512 1.00 0.00 H new ATOM 0 HG3 GLN A 342 -17.556 1.909 -1.957 1.00 0.00 H new ATOM 0 HE21 GLN A 342 -19.200 3.150 0.934 1.00 0.00 H new ATOM 0 HE22 GLN A 342 -19.720 4.679 0.217 1.00 0.00 H new ATOM 729 N ALA A 343 -17.937 -0.259 -3.111 1.00 0.00 N ATOM 730 CA ALA A 343 -18.422 -0.394 -4.478 1.00 0.00 C ATOM 731 C ALA A 343 -18.314 -1.838 -4.961 1.00 0.00 C ATOM 732 O ALA A 343 -19.129 -2.296 -5.763 1.00 0.00 O ATOM 733 CB ALA A 343 -17.646 0.530 -5.404 1.00 0.00 C ATOM 0 H ALA A 343 -16.942 -0.048 -3.037 1.00 0.00 H new ATOM 0 HA ALA A 343 -19.474 -0.111 -4.493 1.00 0.00 H new ATOM 0 HB1 ALA A 343 -18.018 0.420 -6.423 1.00 0.00 H new ATOM 0 HB2 ALA A 343 -17.776 1.563 -5.080 1.00 0.00 H new ATOM 0 HB3 ALA A 343 -16.588 0.270 -5.374 1.00 0.00 H new ATOM 739 N THR A 344 -17.304 -2.550 -4.467 1.00 0.00 N ATOM 740 CA THR A 344 -17.089 -3.941 -4.852 1.00 0.00 C ATOM 741 C THR A 344 -16.433 -4.733 -3.723 1.00 0.00 C ATOM 742 O THR A 344 -15.512 -4.248 -3.065 1.00 0.00 O ATOM 743 CB THR A 344 -16.211 -4.038 -6.112 1.00 0.00 C ATOM 744 OG1 THR A 344 -16.803 -3.291 -7.181 1.00 0.00 O ATOM 745 CG2 THR A 344 -16.030 -5.487 -6.541 1.00 0.00 C ATOM 0 H THR A 344 -16.623 -2.187 -3.800 1.00 0.00 H new ATOM 0 HA THR A 344 -18.069 -4.368 -5.064 1.00 0.00 H new ATOM 0 HB THR A 344 -15.232 -3.622 -5.875 1.00 0.00 H new ATOM 0 HG1 THR A 344 -16.237 -3.357 -7.978 1.00 0.00 H new ATOM 0 HG21 THR A 344 -15.406 -5.527 -7.434 1.00 0.00 H new ATOM 0 HG22 THR A 344 -15.551 -6.047 -5.738 1.00 0.00 H new ATOM 0 HG23 THR A 344 -17.003 -5.926 -6.759 1.00 0.00 H new ATOM 753 N VAL A 345 -16.913 -5.956 -3.508 1.00 0.00 N ATOM 754 CA VAL A 345 -16.389 -6.818 -2.470 1.00 0.00 C ATOM 755 C VAL A 345 -14.924 -7.169 -2.717 1.00 0.00 C ATOM 756 O VAL A 345 -14.451 -7.139 -3.853 1.00 0.00 O ATOM 757 CB VAL A 345 -17.215 -8.108 -2.387 1.00 0.00 C ATOM 758 CG1 VAL A 345 -18.635 -7.809 -1.929 1.00 0.00 C ATOM 759 CG2 VAL A 345 -17.220 -8.822 -3.728 1.00 0.00 C ATOM 0 H VAL A 345 -17.672 -6.369 -4.050 1.00 0.00 H new ATOM 0 HA VAL A 345 -16.457 -6.275 -1.527 1.00 0.00 H new ATOM 0 HB VAL A 345 -16.754 -8.766 -1.650 1.00 0.00 H new ATOM 0 HG11 VAL A 345 -19.204 -8.737 -1.877 1.00 0.00 H new ATOM 0 HG12 VAL A 345 -18.609 -7.344 -0.944 1.00 0.00 H new ATOM 0 HG13 VAL A 345 -19.111 -7.131 -2.638 1.00 0.00 H new ATOM 0 HG21 VAL A 345 -17.810 -9.735 -3.652 1.00 0.00 H new ATOM 0 HG22 VAL A 345 -17.656 -8.170 -4.486 1.00 0.00 H new ATOM 0 HG23 VAL A 345 -16.198 -9.073 -4.010 1.00 0.00 H new ATOM 769 N GLN A 346 -14.214 -7.506 -1.643 1.00 0.00 N ATOM 770 CA GLN A 346 -12.801 -7.859 -1.734 1.00 0.00 C ATOM 771 C GLN A 346 -12.384 -8.755 -0.569 1.00 0.00 C ATOM 772 O GLN A 346 -12.957 -8.683 0.518 1.00 0.00 O ATOM 773 CB GLN A 346 -11.947 -6.583 -1.774 1.00 0.00 C ATOM 774 CG GLN A 346 -10.552 -6.734 -1.180 1.00 0.00 C ATOM 775 CD GLN A 346 -10.510 -6.406 0.302 1.00 0.00 C ATOM 776 OE1 GLN A 346 -11.498 -6.570 1.017 1.00 0.00 O ATOM 777 NE2 GLN A 346 -9.360 -5.939 0.772 1.00 0.00 N ATOM 0 H GLN A 346 -14.596 -7.542 -0.698 1.00 0.00 H new ATOM 0 HA GLN A 346 -12.640 -8.419 -2.655 1.00 0.00 H new ATOM 0 HB2 GLN A 346 -11.853 -6.257 -2.810 1.00 0.00 H new ATOM 0 HB3 GLN A 346 -12.472 -5.793 -1.237 1.00 0.00 H new ATOM 0 HG2 GLN A 346 -10.205 -7.756 -1.332 1.00 0.00 H new ATOM 0 HG3 GLN A 346 -9.861 -6.080 -1.713 1.00 0.00 H new ATOM 0 HE21 GLN A 346 -8.564 -5.818 0.145 1.00 0.00 H new ATOM 0 HE22 GLN A 346 -9.272 -5.701 1.760 1.00 0.00 H new ATOM 786 N GLU A 347 -11.382 -9.598 -0.807 1.00 0.00 N ATOM 787 CA GLU A 347 -10.882 -10.508 0.218 1.00 0.00 C ATOM 788 C GLU A 347 -9.616 -11.220 -0.252 1.00 0.00 C ATOM 789 O GLU A 347 -8.512 -10.738 0.077 1.00 0.00 O ATOM 790 CB GLU A 347 -11.957 -11.532 0.594 1.00 0.00 C ATOM 791 CG GLU A 347 -12.677 -12.130 -0.605 1.00 0.00 C ATOM 792 CD GLU A 347 -13.758 -13.115 -0.203 1.00 0.00 C ATOM 793 OE1 GLU A 347 -14.861 -12.665 0.171 1.00 0.00 O ATOM 794 OE2 GLU A 347 -13.500 -14.335 -0.261 1.00 0.00 O ATOM 795 OXT GLU A 347 -9.738 -12.253 -0.945 1.00 0.00 O ATOM 0 H GLU A 347 -10.900 -9.669 -1.703 1.00 0.00 H new ATOM 0 HA GLU A 347 -10.634 -9.918 1.100 1.00 0.00 H new ATOM 0 HB2 GLU A 347 -11.496 -12.336 1.168 1.00 0.00 H new ATOM 0 HB3 GLU A 347 -12.689 -11.055 1.245 1.00 0.00 H new ATOM 0 HG2 GLU A 347 -13.122 -11.328 -1.194 1.00 0.00 H new ATOM 0 HG3 GLU A 347 -11.953 -12.632 -1.246 1.00 0.00 H new TER 802 GLU A 347 ATOM 803 N ALA B 1 -1.509 -8.330 0.119 1.00 0.00 N ATOM 804 CA ALA B 1 -2.428 -7.202 -0.176 1.00 0.00 C ATOM 805 C ALA B 1 -1.745 -6.140 -1.031 1.00 0.00 C ATOM 806 O ALA B 1 -2.264 -5.037 -1.204 1.00 0.00 O ATOM 807 CB ALA B 1 -2.953 -6.596 1.115 1.00 0.00 C ATOM 0 H1 ALA B 1 -1.908 -8.912 0.883 1.00 0.00 H new ATOM 0 H2 ALA B 1 -1.390 -8.913 -0.734 1.00 0.00 H new ATOM 0 H3 ALA B 1 -0.585 -7.956 0.415 1.00 0.00 H new ATOM 0 HA ALA B 1 -3.271 -7.594 -0.745 1.00 0.00 H new ATOM 0 HB1 ALA B 1 -3.625 -5.770 0.882 1.00 0.00 H new ATOM 0 HB2 ALA B 1 -3.493 -7.356 1.680 1.00 0.00 H new ATOM 0 HB3 ALA B 1 -2.117 -6.227 1.710 1.00 0.00 H new ATOM 815 N ARG B 2 -0.573 -6.486 -1.561 1.00 0.00 N ATOM 816 CA ARG B 2 0.195 -5.576 -2.406 1.00 0.00 C ATOM 817 C ARG B 2 0.524 -4.278 -1.675 1.00 0.00 C ATOM 818 O ARG B 2 -0.161 -3.270 -1.847 1.00 0.00 O ATOM 819 CB ARG B 2 -0.576 -5.265 -3.692 1.00 0.00 C ATOM 820 CG ARG B 2 -0.758 -6.467 -4.603 1.00 0.00 C ATOM 821 CD ARG B 2 -1.524 -6.097 -5.863 1.00 0.00 C ATOM 822 NE ARG B 2 -0.886 -5.003 -6.592 1.00 0.00 N ATOM 823 CZ ARG B 2 -1.288 -4.578 -7.787 1.00 0.00 C ATOM 824 NH1 ARG B 2 -2.314 -5.163 -8.392 1.00 0.00 N ATOM 825 NH2 ARG B 2 -0.663 -3.570 -8.379 1.00 0.00 N ATOM 0 H ARG B 2 -0.133 -7.395 -1.418 1.00 0.00 H new ATOM 0 HA ARG B 2 1.132 -6.072 -2.657 1.00 0.00 H new ATOM 0 HB2 ARG B 2 -1.557 -4.868 -3.430 1.00 0.00 H new ATOM 0 HB3 ARG B 2 -0.051 -4.482 -4.239 1.00 0.00 H new ATOM 0 HG2 ARG B 2 0.217 -6.871 -4.874 1.00 0.00 H new ATOM 0 HG3 ARG B 2 -1.292 -7.253 -4.069 1.00 0.00 H new ATOM 0 HD2 ARG B 2 -1.598 -6.970 -6.512 1.00 0.00 H new ATOM 0 HD3 ARG B 2 -2.542 -5.810 -5.597 1.00 0.00 H new ATOM 0 HE ARG B 2 -0.087 -4.539 -6.160 1.00 0.00 H new ATOM 0 HH11 ARG B 2 -2.796 -5.940 -7.941 1.00 0.00 H new ATOM 0 HH12 ARG B 2 -2.620 -4.835 -9.308 1.00 0.00 H new ATOM 0 HH21 ARG B 2 0.127 -3.119 -7.918 1.00 0.00 H new ATOM 0 HH22 ARG B 2 -0.972 -3.245 -9.295 1.00 0.00 H new ATOM 839 N THR B 3 1.574 -4.303 -0.857 1.00 0.00 N ATOM 840 CA THR B 3 1.987 -3.115 -0.121 1.00 0.00 C ATOM 841 C THR B 3 3.443 -2.768 -0.430 1.00 0.00 C ATOM 842 O THR B 3 4.371 -3.408 0.066 1.00 0.00 O ATOM 843 CB THR B 3 1.793 -3.278 1.406 1.00 0.00 C ATOM 844 OG1 THR B 3 2.913 -3.961 1.985 1.00 0.00 O ATOM 845 CG2 THR B 3 0.520 -4.054 1.709 1.00 0.00 C ATOM 0 H THR B 3 2.150 -5.128 -0.689 1.00 0.00 H new ATOM 0 HA THR B 3 1.346 -2.297 -0.450 1.00 0.00 H new ATOM 0 HB THR B 3 1.714 -2.281 1.840 1.00 0.00 H new ATOM 0 HG1 THR B 3 3.494 -4.300 1.272 1.00 0.00 H new ATOM 0 HG21 THR B 3 0.404 -4.156 2.788 1.00 0.00 H new ATOM 0 HG22 THR B 3 -0.338 -3.519 1.301 1.00 0.00 H new ATOM 0 HG23 THR B 3 0.580 -5.043 1.255 1.00 0.00 H new ATOM 853 N LYS B 4 3.629 -1.752 -1.269 1.00 0.00 N ATOM 854 CA LYS B 4 4.962 -1.310 -1.667 1.00 0.00 C ATOM 855 C LYS B 4 5.494 -0.246 -0.712 1.00 0.00 C ATOM 856 O LYS B 4 4.732 0.559 -0.179 1.00 0.00 O ATOM 857 CB LYS B 4 4.922 -0.751 -3.093 1.00 0.00 C ATOM 858 CG LYS B 4 6.280 -0.316 -3.621 1.00 0.00 C ATOM 859 CD LYS B 4 6.149 0.791 -4.655 1.00 0.00 C ATOM 860 CE LYS B 4 7.510 1.244 -5.157 1.00 0.00 C ATOM 861 NZ LYS B 4 7.410 2.439 -6.039 1.00 0.00 N ATOM 0 H LYS B 4 2.868 -1.217 -1.688 1.00 0.00 H new ATOM 0 HA LYS B 4 5.631 -2.170 -1.631 1.00 0.00 H new ATOM 0 HB2 LYS B 4 4.510 -1.509 -3.759 1.00 0.00 H new ATOM 0 HB3 LYS B 4 4.242 0.101 -3.120 1.00 0.00 H new ATOM 0 HG2 LYS B 4 6.899 0.030 -2.793 1.00 0.00 H new ATOM 0 HG3 LYS B 4 6.790 -1.171 -4.065 1.00 0.00 H new ATOM 0 HD2 LYS B 4 5.549 0.438 -5.494 1.00 0.00 H new ATOM 0 HD3 LYS B 4 5.620 1.638 -4.218 1.00 0.00 H new ATOM 0 HE2 LYS B 4 8.152 1.474 -4.307 1.00 0.00 H new ATOM 0 HE3 LYS B 4 7.985 0.429 -5.703 1.00 0.00 H new ATOM 0 HZ1 LYS B 4 7.745 2.195 -6.993 1.00 0.00 H new ATOM 0 HZ2 LYS B 4 6.419 2.751 -6.089 1.00 0.00 H new ATOM 0 HZ3 LYS B 4 7.996 3.206 -5.652 1.00 0.00 H new ATOM 875 N GLN B 5 6.807 -0.247 -0.503 1.00 0.00 N ATOM 876 CA GLN B 5 7.441 0.723 0.383 1.00 0.00 C ATOM 877 C GLN B 5 8.095 1.843 -0.422 1.00 0.00 C ATOM 878 O GLN B 5 9.161 1.657 -1.009 1.00 0.00 O ATOM 879 CB GLN B 5 8.485 0.035 1.266 1.00 0.00 C ATOM 880 CG GLN B 5 9.158 0.972 2.256 1.00 0.00 C ATOM 881 CD GLN B 5 10.154 0.257 3.148 1.00 0.00 C ATOM 882 OE1 GLN B 5 11.335 0.149 2.817 1.00 0.00 O ATOM 883 NE2 GLN B 5 9.681 -0.234 4.287 1.00 0.00 N ATOM 0 H GLN B 5 7.452 -0.908 -0.935 1.00 0.00 H new ATOM 0 HA GLN B 5 6.670 1.157 1.019 1.00 0.00 H new ATOM 0 HB2 GLN B 5 8.007 -0.777 1.814 1.00 0.00 H new ATOM 0 HB3 GLN B 5 9.247 -0.416 0.630 1.00 0.00 H new ATOM 0 HG2 GLN B 5 9.668 1.766 1.711 1.00 0.00 H new ATOM 0 HG3 GLN B 5 8.398 1.448 2.875 1.00 0.00 H new ATOM 0 HE21 GLN B 5 8.695 -0.121 4.520 1.00 0.00 H new ATOM 0 HE22 GLN B 5 10.304 -0.724 4.929 1.00 0.00 H new ATOM 892 N THR B 6 7.447 3.004 -0.445 1.00 0.00 N ATOM 893 CA THR B 6 7.963 4.155 -1.180 1.00 0.00 C ATOM 894 C THR B 6 8.807 5.052 -0.280 1.00 0.00 C ATOM 895 O THR B 6 8.542 5.176 0.916 1.00 0.00 O ATOM 896 CB THR B 6 6.820 4.988 -1.790 1.00 0.00 C ATOM 897 OG1 THR B 6 7.356 6.118 -2.490 1.00 0.00 O ATOM 898 CG2 THR B 6 5.859 5.464 -0.709 1.00 0.00 C ATOM 0 H THR B 6 6.564 3.173 0.037 1.00 0.00 H new ATOM 0 HA THR B 6 8.587 3.763 -1.983 1.00 0.00 H new ATOM 0 HB THR B 6 6.272 4.355 -2.488 1.00 0.00 H new ATOM 0 HG1 THR B 6 6.623 6.641 -2.876 1.00 0.00 H new ATOM 0 HG21 THR B 6 5.061 6.050 -1.164 1.00 0.00 H new ATOM 0 HG22 THR B 6 5.430 4.602 -0.198 1.00 0.00 H new ATOM 0 HG23 THR B 6 6.397 6.081 0.010 1.00 0.00 H new ATOM 906 N ALA B 7 9.826 5.674 -0.866 1.00 0.00 N ATOM 907 CA ALA B 7 10.711 6.564 -0.123 1.00 0.00 C ATOM 908 C ALA B 7 10.490 8.018 -0.530 1.00 0.00 C ATOM 909 O ALA B 7 11.407 8.688 -1.006 1.00 0.00 O ATOM 910 CB ALA B 7 12.163 6.166 -0.340 1.00 0.00 C ATOM 0 H ALA B 7 10.059 5.578 -1.854 1.00 0.00 H new ATOM 0 HA ALA B 7 10.477 6.471 0.937 1.00 0.00 H new ATOM 0 HB1 ALA B 7 12.812 6.839 0.220 1.00 0.00 H new ATOM 0 HB2 ALA B 7 12.315 5.143 0.005 1.00 0.00 H new ATOM 0 HB3 ALA B 7 12.403 6.230 -1.401 1.00 0.00 H new ATOM 916 N ARG B 8 9.265 8.499 -0.341 1.00 0.00 N ATOM 917 CA ARG B 8 8.919 9.872 -0.689 1.00 0.00 C ATOM 918 C ARG B 8 9.643 10.863 0.216 1.00 0.00 C ATOM 919 O ARG B 8 9.426 10.884 1.428 1.00 0.00 O ATOM 920 CB ARG B 8 7.406 10.082 -0.583 1.00 0.00 C ATOM 921 CG ARG B 8 6.590 9.118 -1.432 1.00 0.00 C ATOM 922 CD ARG B 8 6.690 9.445 -2.914 1.00 0.00 C ATOM 923 NE ARG B 8 7.948 8.991 -3.499 1.00 0.00 N ATOM 924 CZ ARG B 8 8.045 8.463 -4.716 1.00 0.00 C ATOM 925 NH1 ARG B 8 6.961 8.317 -5.468 1.00 0.00 N ATOM 926 NH2 ARG B 8 9.226 8.077 -5.181 1.00 0.00 N ATOM 0 H ARG B 8 8.495 7.957 0.052 1.00 0.00 H new ATOM 0 HA ARG B 8 9.234 10.048 -1.717 1.00 0.00 H new ATOM 0 HB2 ARG B 8 7.106 9.976 0.460 1.00 0.00 H new ATOM 0 HB3 ARG B 8 7.169 11.103 -0.881 1.00 0.00 H new ATOM 0 HG2 ARG B 8 6.938 8.099 -1.261 1.00 0.00 H new ATOM 0 HG3 ARG B 8 5.546 9.155 -1.121 1.00 0.00 H new ATOM 0 HD2 ARG B 8 5.858 8.981 -3.443 1.00 0.00 H new ATOM 0 HD3 ARG B 8 6.595 10.522 -3.053 1.00 0.00 H new ATOM 0 HE ARG B 8 8.799 9.084 -2.944 1.00 0.00 H new ATOM 0 HH11 ARG B 8 6.051 8.610 -5.113 1.00 0.00 H new ATOM 0 HH12 ARG B 8 7.038 7.912 -6.401 1.00 0.00 H new ATOM 0 HH21 ARG B 8 10.061 8.185 -4.605 1.00 0.00 H new ATOM 0 HH22 ARG B 8 9.299 7.672 -6.114 1.00 0.00 H new ATOM 940 N LYS B 9 10.506 11.680 -0.383 1.00 0.00 N ATOM 941 CA LYS B 9 11.264 12.682 0.361 1.00 0.00 C ATOM 942 C LYS B 9 12.087 12.036 1.472 1.00 0.00 C ATOM 943 O LYS B 9 12.245 12.606 2.553 1.00 0.00 O ATOM 944 CB LYS B 9 10.318 13.730 0.953 1.00 0.00 C ATOM 945 CG LYS B 9 9.350 14.318 -0.060 1.00 0.00 C ATOM 946 CD LYS B 9 8.418 15.331 0.583 1.00 0.00 C ATOM 947 CE LYS B 9 7.382 15.840 -0.405 1.00 0.00 C ATOM 948 NZ LYS B 9 6.495 14.746 -0.890 1.00 0.00 N ATOM 0 H LYS B 9 10.698 11.667 -1.385 1.00 0.00 H new ATOM 0 HA LYS B 9 11.949 13.169 -0.333 1.00 0.00 H new ATOM 0 HB2 LYS B 9 9.750 13.277 1.765 1.00 0.00 H new ATOM 0 HB3 LYS B 9 10.909 14.536 1.388 1.00 0.00 H new ATOM 0 HG2 LYS B 9 9.909 14.796 -0.864 1.00 0.00 H new ATOM 0 HG3 LYS B 9 8.764 13.518 -0.511 1.00 0.00 H new ATOM 0 HD2 LYS B 9 7.916 14.875 1.436 1.00 0.00 H new ATOM 0 HD3 LYS B 9 8.999 16.169 0.967 1.00 0.00 H new ATOM 0 HE2 LYS B 9 6.778 16.614 0.068 1.00 0.00 H new ATOM 0 HE3 LYS B 9 7.886 16.303 -1.254 1.00 0.00 H new ATOM 0 HZ1 LYS B 9 5.642 15.156 -1.321 1.00 0.00 H new ATOM 0 HZ2 LYS B 9 7.001 14.177 -1.598 1.00 0.00 H new ATOM 0 HZ3 LYS B 9 6.221 14.140 -0.090 1.00 0.00 H new ATOM 962 N SER B 10 12.610 10.845 1.201 1.00 0.00 N ATOM 963 CA SER B 10 13.417 10.123 2.178 1.00 0.00 C ATOM 964 C SER B 10 14.618 9.462 1.511 1.00 0.00 C ATOM 965 O SER B 10 14.495 8.862 0.443 1.00 0.00 O ATOM 966 CB SER B 10 12.571 9.068 2.891 1.00 0.00 C ATOM 967 OG SER B 10 13.345 8.344 3.832 1.00 0.00 O ATOM 0 H SER B 10 12.489 10.359 0.312 1.00 0.00 H new ATOM 0 HA SER B 10 13.782 10.842 2.911 1.00 0.00 H new ATOM 0 HB2 SER B 10 11.734 9.550 3.397 1.00 0.00 H new ATOM 0 HB3 SER B 10 12.147 8.381 2.158 1.00 0.00 H new ATOM 0 HG SER B 10 12.781 7.677 4.276 1.00 0.00 H new ATOM 973 N THR B 11 15.779 9.575 2.149 1.00 0.00 N ATOM 974 CA THR B 11 17.003 8.988 1.619 1.00 0.00 C ATOM 975 C THR B 11 17.273 7.626 2.249 1.00 0.00 C ATOM 976 O THR B 11 17.832 7.536 3.342 1.00 0.00 O ATOM 977 CB THR B 11 18.217 9.906 1.862 1.00 0.00 C ATOM 978 OG1 THR B 11 17.958 11.212 1.334 1.00 0.00 O ATOM 979 CG2 THR B 11 19.468 9.334 1.213 1.00 0.00 C ATOM 0 H THR B 11 15.897 10.068 3.034 1.00 0.00 H new ATOM 0 HA THR B 11 16.860 8.867 0.545 1.00 0.00 H new ATOM 0 HB THR B 11 18.382 9.974 2.937 1.00 0.00 H new ATOM 0 HG1 THR B 11 18.734 11.789 1.494 1.00 0.00 H new ATOM 0 HG21 THR B 11 20.311 10.000 1.398 1.00 0.00 H new ATOM 0 HG22 THR B 11 19.681 8.352 1.636 1.00 0.00 H new ATOM 0 HG23 THR B 11 19.310 9.240 0.139 1.00 0.00 H new ATOM 987 N GLY B 12 16.869 6.567 1.552 1.00 0.00 N ATOM 988 CA GLY B 12 17.076 5.223 2.058 1.00 0.00 C ATOM 989 C GLY B 12 18.442 4.672 1.699 1.00 0.00 C ATOM 990 O GLY B 12 18.756 4.493 0.522 1.00 0.00 O ATOM 0 H GLY B 12 16.402 6.617 0.646 1.00 0.00 H new ATOM 0 HA2 GLY B 12 16.962 5.225 3.142 1.00 0.00 H new ATOM 0 HA3 GLY B 12 16.305 4.565 1.657 1.00 0.00 H new ATOM 994 N GLY B 13 19.255 4.403 2.716 1.00 0.00 N ATOM 995 CA GLY B 13 20.585 3.872 2.483 1.00 0.00 C ATOM 996 C GLY B 13 20.588 2.368 2.292 1.00 0.00 C ATOM 997 O GLY B 13 20.136 1.625 3.164 1.00 0.00 O ATOM 0 H GLY B 13 19.016 4.544 3.698 1.00 0.00 H new ATOM 0 HA2 GLY B 13 21.012 4.347 1.600 1.00 0.00 H new ATOM 0 HA3 GLY B 13 21.227 4.129 3.325 1.00 0.00 H new ATOM 1001 N LYS B 14 21.097 1.922 1.146 1.00 0.00 N ATOM 1002 CA LYS B 14 21.163 0.498 0.831 1.00 0.00 C ATOM 1003 C LYS B 14 19.776 -0.137 0.848 1.00 0.00 C ATOM 1004 O LYS B 14 18.768 0.548 1.024 1.00 0.00 O ATOM 1005 CB LYS B 14 22.080 -0.226 1.820 1.00 0.00 C ATOM 1006 CG LYS B 14 23.512 0.283 1.806 1.00 0.00 C ATOM 1007 CD LYS B 14 24.398 -0.528 2.736 1.00 0.00 C ATOM 1008 CE LYS B 14 25.822 0.001 2.753 1.00 0.00 C ATOM 1009 NZ LYS B 14 26.448 -0.042 1.402 1.00 0.00 N ATOM 0 H LYS B 14 21.471 2.530 0.417 1.00 0.00 H new ATOM 0 HA LYS B 14 21.572 0.399 -0.174 1.00 0.00 H new ATOM 0 HB2 LYS B 14 21.674 -0.117 2.826 1.00 0.00 H new ATOM 0 HB3 LYS B 14 22.080 -1.291 1.590 1.00 0.00 H new ATOM 0 HG2 LYS B 14 23.907 0.235 0.791 1.00 0.00 H new ATOM 0 HG3 LYS B 14 23.530 1.331 2.106 1.00 0.00 H new ATOM 0 HD2 LYS B 14 23.987 -0.502 3.745 1.00 0.00 H new ATOM 0 HD3 LYS B 14 24.400 -1.571 2.420 1.00 0.00 H new ATOM 0 HE2 LYS B 14 25.823 1.027 3.121 1.00 0.00 H new ATOM 0 HE3 LYS B 14 26.420 -0.588 3.449 1.00 0.00 H new ATOM 0 HZ1 LYS B 14 27.472 0.114 1.489 1.00 0.00 H new ATOM 0 HZ2 LYS B 14 26.275 -0.972 0.969 1.00 0.00 H new ATOM 0 HZ3 LYS B 14 26.034 0.701 0.804 1.00 0.00 H new ATOM 1023 N ALA B 15 19.735 -1.453 0.661 1.00 0.00 N ATOM 1024 CA ALA B 15 18.478 -2.190 0.652 1.00 0.00 C ATOM 1025 C ALA B 15 18.726 -3.690 0.805 1.00 0.00 C ATOM 1026 O ALA B 15 19.779 -4.192 0.411 1.00 0.00 O ATOM 1027 CB ALA B 15 17.713 -1.908 -0.633 1.00 0.00 C ATOM 0 H ALA B 15 20.562 -2.032 0.513 1.00 0.00 H new ATOM 0 HA ALA B 15 17.879 -1.857 1.499 1.00 0.00 H new ATOM 0 HB1 ALA B 15 16.776 -2.464 -0.628 1.00 0.00 H new ATOM 0 HB2 ALA B 15 17.501 -0.841 -0.704 1.00 0.00 H new ATOM 0 HB3 ALA B 15 18.313 -2.216 -1.489 1.00 0.00 H new ATOM 1033 N PRO B 16 17.758 -4.430 1.381 1.00 0.00 N ATOM 1034 CA PRO B 16 17.887 -5.877 1.581 1.00 0.00 C ATOM 1035 C PRO B 16 17.785 -6.657 0.274 1.00 0.00 C ATOM 1036 O PRO B 16 17.731 -7.888 0.280 1.00 0.00 O ATOM 1037 CB PRO B 16 16.713 -6.215 2.501 1.00 0.00 C ATOM 1038 CG PRO B 16 15.696 -5.165 2.216 1.00 0.00 C ATOM 1039 CD PRO B 16 16.467 -3.917 1.882 1.00 0.00 C ATOM 0 HA PRO B 16 18.859 -6.145 1.994 1.00 0.00 H new ATOM 0 HB2 PRO B 16 16.322 -7.211 2.295 1.00 0.00 H new ATOM 0 HB3 PRO B 16 17.014 -6.201 3.549 1.00 0.00 H new ATOM 0 HG2 PRO B 16 15.053 -5.460 1.386 1.00 0.00 H new ATOM 0 HG3 PRO B 16 15.049 -5.004 3.079 1.00 0.00 H new ATOM 0 HD2 PRO B 16 15.954 -3.318 1.129 1.00 0.00 H new ATOM 0 HD3 PRO B 16 16.601 -3.282 2.758 1.00 0.00 H new ATOM 1047 N ARG B 17 17.754 -5.931 -0.842 1.00 0.00 N ATOM 1048 CA ARG B 17 17.663 -6.546 -2.163 1.00 0.00 C ATOM 1049 C ARG B 17 16.406 -7.402 -2.286 1.00 0.00 C ATOM 1050 O ARG B 17 15.513 -7.334 -1.442 1.00 0.00 O ATOM 1051 CB ARG B 17 18.903 -7.397 -2.441 1.00 0.00 C ATOM 1052 CG ARG B 17 20.208 -6.628 -2.318 1.00 0.00 C ATOM 1053 CD ARG B 17 21.409 -7.535 -2.529 1.00 0.00 C ATOM 1054 NE ARG B 17 22.671 -6.826 -2.339 1.00 0.00 N ATOM 1055 CZ ARG B 17 23.826 -7.432 -2.079 1.00 0.00 C ATOM 1056 NH1 ARG B 17 23.878 -8.754 -1.977 1.00 0.00 N ATOM 1057 NH2 ARG B 17 24.931 -6.716 -1.919 1.00 0.00 N ATOM 0 H ARG B 17 17.791 -4.912 -0.856 1.00 0.00 H new ATOM 0 HA ARG B 17 17.606 -5.746 -2.901 1.00 0.00 H new ATOM 0 HB2 ARG B 17 18.920 -8.238 -1.747 1.00 0.00 H new ATOM 0 HB3 ARG B 17 18.830 -7.814 -3.445 1.00 0.00 H new ATOM 0 HG2 ARG B 17 20.227 -5.821 -3.050 1.00 0.00 H new ATOM 0 HG3 ARG B 17 20.268 -6.166 -1.333 1.00 0.00 H new ATOM 0 HD2 ARG B 17 21.356 -8.373 -1.835 1.00 0.00 H new ATOM 0 HD3 ARG B 17 21.376 -7.952 -3.535 1.00 0.00 H new ATOM 0 HE ARG B 17 22.667 -5.808 -2.410 1.00 0.00 H new ATOM 0 HH11 ARG B 17 23.031 -9.309 -2.098 1.00 0.00 H new ATOM 0 HH12 ARG B 17 24.765 -9.216 -1.778 1.00 0.00 H new ATOM 0 HH21 ARG B 17 24.896 -5.699 -1.995 1.00 0.00 H new ATOM 0 HH22 ARG B 17 25.816 -7.182 -1.720 1.00 0.00 H new ATOM 1071 N LYS B 18 16.344 -8.205 -3.343 1.00 0.00 N ATOM 1072 CA LYS B 18 15.198 -9.075 -3.577 1.00 0.00 C ATOM 1073 C LYS B 18 15.278 -10.322 -2.702 1.00 0.00 C ATOM 1074 O LYS B 18 14.405 -10.566 -1.868 1.00 0.00 O ATOM 1075 CB LYS B 18 15.131 -9.480 -5.051 1.00 0.00 C ATOM 1076 CG LYS B 18 15.070 -8.302 -6.012 1.00 0.00 C ATOM 1077 CD LYS B 18 13.753 -7.550 -5.902 1.00 0.00 C ATOM 1078 CE LYS B 18 13.653 -6.455 -6.952 1.00 0.00 C ATOM 1079 NZ LYS B 18 12.356 -5.727 -6.878 1.00 0.00 N ATOM 0 H LYS B 18 17.075 -8.271 -4.052 1.00 0.00 H new ATOM 0 HA LYS B 18 14.295 -8.523 -3.316 1.00 0.00 H new ATOM 0 HB2 LYS B 18 16.004 -10.087 -5.291 1.00 0.00 H new ATOM 0 HB3 LYS B 18 14.254 -10.108 -5.206 1.00 0.00 H new ATOM 0 HG2 LYS B 18 15.896 -7.621 -5.805 1.00 0.00 H new ATOM 0 HG3 LYS B 18 15.200 -8.659 -7.034 1.00 0.00 H new ATOM 0 HD2 LYS B 18 12.923 -8.247 -6.020 1.00 0.00 H new ATOM 0 HD3 LYS B 18 13.663 -7.113 -4.908 1.00 0.00 H new ATOM 0 HE2 LYS B 18 14.473 -5.749 -6.819 1.00 0.00 H new ATOM 0 HE3 LYS B 18 13.767 -6.892 -7.944 1.00 0.00 H new ATOM 0 HZ1 LYS B 18 12.330 -4.990 -7.611 1.00 0.00 H new ATOM 0 HZ2 LYS B 18 11.574 -6.395 -7.031 1.00 0.00 H new ATOM 0 HZ3 LYS B 18 12.258 -5.287 -5.941 1.00 0.00 H new ATOM 1093 N GLN B 19 16.334 -11.107 -2.898 1.00 0.00 N ATOM 1094 CA GLN B 19 16.532 -12.333 -2.132 1.00 0.00 C ATOM 1095 C GLN B 19 17.296 -12.055 -0.840 1.00 0.00 C ATOM 1096 O GLN B 19 17.524 -10.900 -0.480 1.00 0.00 O ATOM 1097 CB GLN B 19 17.288 -13.370 -2.969 1.00 0.00 C ATOM 1098 CG GLN B 19 16.571 -13.765 -4.251 1.00 0.00 C ATOM 1099 CD GLN B 19 16.593 -12.668 -5.297 1.00 0.00 C ATOM 1100 OE1 GLN B 19 17.533 -11.874 -5.362 1.00 0.00 O ATOM 1101 NE2 GLN B 19 15.555 -12.616 -6.124 1.00 0.00 N ATOM 0 H GLN B 19 17.066 -10.915 -3.582 1.00 0.00 H new ATOM 0 HA GLN B 19 15.549 -12.729 -1.875 1.00 0.00 H new ATOM 0 HB2 GLN B 19 18.271 -12.973 -3.221 1.00 0.00 H new ATOM 0 HB3 GLN B 19 17.450 -14.263 -2.365 1.00 0.00 H new ATOM 0 HG2 GLN B 19 17.036 -14.661 -4.661 1.00 0.00 H new ATOM 0 HG3 GLN B 19 15.537 -14.020 -4.020 1.00 0.00 H new ATOM 0 HE21 GLN B 19 14.798 -13.293 -6.035 1.00 0.00 H new ATOM 0 HE22 GLN B 19 15.515 -11.899 -6.848 1.00 0.00 H new ATOM 1110 N LEU B 20 17.688 -13.121 -0.148 1.00 0.00 N ATOM 1111 CA LEU B 20 18.425 -12.992 1.105 1.00 0.00 C ATOM 1112 C LEU B 20 19.879 -12.608 0.848 1.00 0.00 C ATOM 1113 O LEU B 20 20.286 -11.473 1.101 1.00 0.00 O ATOM 1114 CB LEU B 20 18.364 -14.302 1.893 1.00 0.00 C ATOM 1115 CG LEU B 20 16.959 -14.750 2.304 1.00 0.00 C ATOM 1116 CD1 LEU B 20 17.000 -16.147 2.903 1.00 0.00 C ATOM 1117 CD2 LEU B 20 16.352 -13.765 3.293 1.00 0.00 C ATOM 0 H LEU B 20 17.508 -14.083 -0.434 1.00 0.00 H new ATOM 0 HA LEU B 20 17.958 -12.200 1.690 1.00 0.00 H new ATOM 0 HB2 LEU B 20 18.818 -15.090 1.293 1.00 0.00 H new ATOM 0 HB3 LEU B 20 18.972 -14.196 2.792 1.00 0.00 H new ATOM 0 HG LEU B 20 16.332 -14.774 1.413 1.00 0.00 H new ATOM 0 HD11 LEU B 20 15.993 -16.450 3.190 1.00 0.00 H new ATOM 0 HD12 LEU B 20 17.394 -16.847 2.166 1.00 0.00 H new ATOM 0 HD13 LEU B 20 17.643 -16.147 3.783 1.00 0.00 H new ATOM 0 HD21 LEU B 20 15.353 -14.100 3.574 1.00 0.00 H new ATOM 0 HD22 LEU B 20 16.979 -13.709 4.183 1.00 0.00 H new ATOM 0 HD23 LEU B 20 16.288 -12.779 2.832 1.00 0.00 H new ATOM 1129 N CYS B 21 20.658 -13.561 0.344 1.00 0.00 N ATOM 1130 CA CYS B 21 22.068 -13.324 0.053 1.00 0.00 C ATOM 1131 C CYS B 21 22.258 -12.856 -1.386 1.00 0.00 C ATOM 1132 O CYS B 21 22.268 -11.627 -1.611 1.00 0.00 O ATOM 1133 CB CYS B 21 22.881 -14.597 0.300 1.00 0.00 C ATOM 1134 SG CYS B 21 22.807 -15.203 2.002 1.00 0.00 S ATOM 1135 OXT CYS B 21 22.396 -13.721 -2.276 1.00 0.00 O ATOM 0 H CYS B 21 20.336 -14.505 0.129 1.00 0.00 H new ATOM 0 HA CYS B 21 22.423 -12.538 0.719 1.00 0.00 H new ATOM 0 HB2 CYS B 21 22.522 -15.380 -0.369 1.00 0.00 H new ATOM 0 HB3 CYS B 21 23.922 -14.407 0.039 1.00 0.00 H new ATOM 0 HG CYS B 21 23.523 -16.283 2.110 1.00 0.00 H new TER 1141 CYS B 21 HETATM 1142 ZN ZN A 401 -0.784 8.177 5.283 1.00 0.00 ZN HETATM 1143 ZN ZN A 501 -9.311 1.739 -4.469 1.00 0.00 ZN