USER MOD reduce.3.24.130724 H: found=0, std=0, add=554, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 551 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 71 SER OG : rot -140:sc= 0.415 USER MOD Set 1.2: A 74 LYS NZ :NH3+ -155:sc= 0.637 (180deg=0) USER MOD Set 2.1: A 46 HIS : no HD1:sc= 0.325 K(o=0.3,f=-3!) USER MOD Set 2.2: A 56 HIS : no HD1:sc= -0.0203 K(o=0.3,f=-0.89) USER MOD Set 3.1: A 45 SER OG : rot 74:sc= 1.53 USER MOD Set 3.2: A 58 THR OG1 : rot 71:sc= 0.857 USER MOD Single : A 12 GLN : amide:sc= 2.8 K(o=2.8,f=-8.9!) USER MOD Single : A 15 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0624) USER MOD Single : A 17 THR OG1 : rot 20:sc= 0.233 USER MOD Single : A 22 SER OG : rot 180:sc= 1.21 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 SER OG : rot 180:sc= 0.00929 USER MOD Single : A 32 THR OG1 : rot 66:sc= 0.676 USER MOD Single : A 36 THR OG1 : rot 180:sc= 0.0608 USER MOD Single : A 37 SER OG : rot 180:sc= 0.154 USER MOD Single : A 42 HIS : no HD1:sc= -0.564 K(o=-0.56,f=-8.8!) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 SER OG : rot 180:sc= 0.113 USER MOD Single : A 53 GLN : amide:sc= 0.962 K(o=0.96,f=-3.2!) USER MOD Single : A 55 MET CE :methyl 172:sc= 0 (180deg=-0.0703) USER MOD Single : A 57 HIS : no HD1:sc= 0.579 K(o=0.58,f=-2.9!) USER MOD Single : A 64 ASN : amide:sc= 0.996 K(o=1,f=-0.59) USER MOD Single : A 69 GLN : amide:sc= -0.473 K(o=-0.47,f=-6.7!) USER MOD Single : A 70 THR OG1 : rot 150:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.04) USER MOD Single : A 76 LYS NZ :NH3+ -143:sc= 0.79 (180deg=-0.205) USER MOD Single : A 79 SER OG : rot 180:sc= 0.0329 USER MOD Single : A 80 LYS NZ :NH3+ 174:sc= 0.64 (180deg=0.62) USER MOD ----------------------------------------------------------------- ATOM 61 N GLY A 5 12.551 0.230 -8.447 1.00 0.00 N ATOM 62 CA GLY A 5 11.460 -0.082 -7.537 1.00 0.00 C ATOM 63 C GLY A 5 11.911 -0.355 -6.103 1.00 0.00 C ATOM 64 O GLY A 5 11.417 0.294 -5.181 1.00 0.00 O ATOM 0 HA2 GLY A 5 10.754 0.748 -7.534 1.00 0.00 H new ATOM 0 HA3 GLY A 5 10.925 -0.955 -7.912 1.00 0.00 H new ATOM 68 N ALA A 6 12.791 -1.345 -5.922 1.00 0.00 N ATOM 69 CA ALA A 6 13.296 -1.814 -4.634 1.00 0.00 C ATOM 70 C ALA A 6 13.715 -0.658 -3.725 1.00 0.00 C ATOM 71 O ALA A 6 14.617 0.104 -4.060 1.00 0.00 O ATOM 72 CB ALA A 6 14.448 -2.794 -4.863 1.00 0.00 C ATOM 0 H ALA A 6 13.187 -1.863 -6.707 1.00 0.00 H new ATOM 0 HA ALA A 6 12.488 -2.331 -4.116 1.00 0.00 H new ATOM 0 HB1 ALA A 6 14.825 -3.144 -3.902 1.00 0.00 H new ATOM 0 HB2 ALA A 6 14.092 -3.644 -5.445 1.00 0.00 H new ATOM 0 HB3 ALA A 6 15.249 -2.293 -5.406 1.00 0.00 H new ATOM 78 N CYS A 7 13.057 -0.523 -2.574 1.00 0.00 N ATOM 79 CA CYS A 7 13.305 0.545 -1.615 1.00 0.00 C ATOM 80 C CYS A 7 13.224 -0.005 -0.202 1.00 0.00 C ATOM 81 O CYS A 7 12.712 -1.096 0.025 1.00 0.00 O ATOM 82 CB CYS A 7 12.314 1.679 -1.846 1.00 0.00 C ATOM 83 SG CYS A 7 10.592 1.214 -1.603 1.00 0.00 S ATOM 0 H CYS A 7 12.323 -1.167 -2.279 1.00 0.00 H new ATOM 0 HA CYS A 7 14.308 0.948 -1.753 1.00 0.00 H new ATOM 0 HB2 CYS A 7 12.556 2.501 -1.172 1.00 0.00 H new ATOM 0 HB3 CYS A 7 12.438 2.054 -2.862 1.00 0.00 H new ATOM 88 N GLU A 8 13.776 0.751 0.741 1.00 0.00 N ATOM 89 CA GLU A 8 13.857 0.403 2.145 1.00 0.00 C ATOM 90 C GLU A 8 12.798 1.171 2.940 1.00 0.00 C ATOM 91 O GLU A 8 12.173 0.591 3.823 1.00 0.00 O ATOM 92 CB GLU A 8 15.263 0.739 2.653 1.00 0.00 C ATOM 93 CG GLU A 8 16.390 0.041 1.875 1.00 0.00 C ATOM 94 CD GLU A 8 17.711 0.774 2.084 1.00 0.00 C ATOM 95 OE1 GLU A 8 17.868 1.838 1.442 1.00 0.00 O ATOM 96 OE2 GLU A 8 18.521 0.290 2.904 1.00 0.00 O ATOM 0 H GLU A 8 14.194 1.658 0.534 1.00 0.00 H new ATOM 0 HA GLU A 8 13.669 -0.663 2.276 1.00 0.00 H new ATOM 0 HB2 GLU A 8 15.411 1.818 2.597 1.00 0.00 H new ATOM 0 HB3 GLU A 8 15.335 0.461 3.705 1.00 0.00 H new ATOM 0 HG2 GLU A 8 16.484 -0.993 2.207 1.00 0.00 H new ATOM 0 HG3 GLU A 8 16.145 0.014 0.813 1.00 0.00 H new ATOM 103 N ARG A 9 12.610 2.468 2.656 1.00 0.00 N ATOM 104 CA ARG A 9 11.647 3.312 3.377 1.00 0.00 C ATOM 105 C ARG A 9 10.877 4.214 2.418 1.00 0.00 C ATOM 106 O ARG A 9 11.470 4.744 1.478 1.00 0.00 O ATOM 107 CB ARG A 9 12.323 4.217 4.423 1.00 0.00 C ATOM 108 CG ARG A 9 13.315 3.511 5.354 1.00 0.00 C ATOM 109 CD ARG A 9 14.745 3.700 4.838 1.00 0.00 C ATOM 110 NE ARG A 9 15.664 2.736 5.453 1.00 0.00 N ATOM 111 CZ ARG A 9 16.902 2.490 5.005 1.00 0.00 C ATOM 112 NH1 ARG A 9 17.432 3.246 4.037 1.00 0.00 N ATOM 113 NH2 ARG A 9 17.597 1.467 5.509 1.00 0.00 N ATOM 0 H ARG A 9 13.120 2.960 1.922 1.00 0.00 H new ATOM 0 HA ARG A 9 10.972 2.620 3.881 1.00 0.00 H new ATOM 0 HB2 ARG A 9 12.846 5.019 3.902 1.00 0.00 H new ATOM 0 HB3 ARG A 9 11.548 4.684 5.031 1.00 0.00 H new ATOM 0 HG2 ARG A 9 13.228 3.913 6.363 1.00 0.00 H new ATOM 0 HG3 ARG A 9 13.078 2.449 5.412 1.00 0.00 H new ATOM 0 HD2 ARG A 9 14.762 3.582 3.755 1.00 0.00 H new ATOM 0 HD3 ARG A 9 15.081 4.714 5.053 1.00 0.00 H new ATOM 0 HE ARG A 9 15.340 2.221 6.272 1.00 0.00 H new ATOM 0 HH11 ARG A 9 16.893 4.014 3.637 1.00 0.00 H new ATOM 0 HH12 ARG A 9 18.375 3.055 3.699 1.00 0.00 H new ATOM 0 HH21 ARG A 9 17.185 0.877 6.232 1.00 0.00 H new ATOM 0 HH22 ARG A 9 18.540 1.276 5.171 1.00 0.00 H new ATOM 127 N ASP A 10 9.582 4.429 2.694 1.00 0.00 N ATOM 128 CA ASP A 10 8.674 5.264 1.905 1.00 0.00 C ATOM 129 C ASP A 10 9.329 6.579 1.486 1.00 0.00 C ATOM 130 O ASP A 10 9.150 7.042 0.362 1.00 0.00 O ATOM 131 CB ASP A 10 7.443 5.641 2.737 1.00 0.00 C ATOM 132 CG ASP A 10 6.480 4.518 3.055 1.00 0.00 C ATOM 133 OD1 ASP A 10 6.692 3.350 2.668 1.00 0.00 O ATOM 134 OD2 ASP A 10 5.486 4.835 3.741 1.00 0.00 O ATOM 0 H ASP A 10 9.125 4.009 3.503 1.00 0.00 H new ATOM 0 HA ASP A 10 8.406 4.679 1.025 1.00 0.00 H new ATOM 0 HB2 ASP A 10 7.785 6.075 3.677 1.00 0.00 H new ATOM 0 HB3 ASP A 10 6.897 6.420 2.206 1.00 0.00 H new ATOM 139 N LEU A 11 10.058 7.189 2.425 1.00 0.00 N ATOM 140 CA LEU A 11 10.783 8.443 2.261 1.00 0.00 C ATOM 141 C LEU A 11 11.581 8.478 0.953 1.00 0.00 C ATOM 142 O LEU A 11 11.642 9.510 0.291 1.00 0.00 O ATOM 143 CB LEU A 11 11.740 8.631 3.450 1.00 0.00 C ATOM 144 CG LEU A 11 11.040 8.765 4.814 1.00 0.00 C ATOM 145 CD1 LEU A 11 12.080 8.624 5.932 1.00 0.00 C ATOM 146 CD2 LEU A 11 10.336 10.120 4.952 1.00 0.00 C ATOM 0 H LEU A 11 10.161 6.800 3.362 1.00 0.00 H new ATOM 0 HA LEU A 11 10.053 9.252 2.225 1.00 0.00 H new ATOM 0 HB2 LEU A 11 12.424 7.783 3.488 1.00 0.00 H new ATOM 0 HB3 LEU A 11 12.345 9.521 3.277 1.00 0.00 H new ATOM 0 HG LEU A 11 10.288 7.979 4.889 1.00 0.00 H new ATOM 0 HD11 LEU A 11 11.588 8.718 6.900 1.00 0.00 H new ATOM 0 HD12 LEU A 11 12.559 7.648 5.862 1.00 0.00 H new ATOM 0 HD13 LEU A 11 12.833 9.406 5.830 1.00 0.00 H new ATOM 0 HD21 LEU A 11 9.852 10.181 5.927 1.00 0.00 H new ATOM 0 HD22 LEU A 11 11.069 10.922 4.860 1.00 0.00 H new ATOM 0 HD23 LEU A 11 9.586 10.222 4.168 1.00 0.00 H new ATOM 158 N GLN A 12 12.200 7.353 0.586 1.00 0.00 N ATOM 159 CA GLN A 12 13.013 7.230 -0.613 1.00 0.00 C ATOM 160 C GLN A 12 12.176 7.342 -1.894 1.00 0.00 C ATOM 161 O GLN A 12 12.718 7.651 -2.951 1.00 0.00 O ATOM 162 CB GLN A 12 13.758 5.892 -0.561 1.00 0.00 C ATOM 163 CG GLN A 12 14.578 5.754 0.731 1.00 0.00 C ATOM 164 CD GLN A 12 15.225 4.383 0.830 1.00 0.00 C ATOM 165 OE1 GLN A 12 14.532 3.377 0.736 1.00 0.00 O ATOM 166 NE2 GLN A 12 16.533 4.311 1.052 1.00 0.00 N ATOM 0 H GLN A 12 12.145 6.490 1.128 1.00 0.00 H new ATOM 0 HA GLN A 12 13.726 8.054 -0.640 1.00 0.00 H new ATOM 0 HB2 GLN A 12 13.042 5.073 -0.628 1.00 0.00 H new ATOM 0 HB3 GLN A 12 14.419 5.809 -1.424 1.00 0.00 H new ATOM 0 HG2 GLN A 12 15.348 6.525 0.760 1.00 0.00 H new ATOM 0 HG3 GLN A 12 13.932 5.917 1.594 1.00 0.00 H new ATOM 0 HE21 GLN A 12 17.086 5.165 1.126 1.00 0.00 H new ATOM 0 HE22 GLN A 12 16.985 3.402 1.149 1.00 0.00 H new ATOM 175 N CYS A 13 10.866 7.102 -1.801 1.00 0.00 N ATOM 176 CA CYS A 13 9.938 7.136 -2.922 1.00 0.00 C ATOM 177 C CYS A 13 9.228 8.488 -2.913 1.00 0.00 C ATOM 178 O CYS A 13 9.243 9.206 -3.910 1.00 0.00 O ATOM 179 CB CYS A 13 8.910 6.005 -2.797 1.00 0.00 C ATOM 180 SG CYS A 13 9.530 4.357 -2.421 1.00 0.00 S ATOM 0 H CYS A 13 10.414 6.873 -0.916 1.00 0.00 H new ATOM 0 HA CYS A 13 10.481 7.000 -3.857 1.00 0.00 H new ATOM 0 HB2 CYS A 13 8.198 6.282 -2.020 1.00 0.00 H new ATOM 0 HB3 CYS A 13 8.355 5.950 -3.733 1.00 0.00 H new ATOM 185 N GLY A 14 8.627 8.839 -1.772 1.00 0.00 N ATOM 186 CA GLY A 14 7.958 10.111 -1.548 1.00 0.00 C ATOM 187 C GLY A 14 6.438 9.974 -1.472 1.00 0.00 C ATOM 188 O GLY A 14 5.862 8.968 -1.893 1.00 0.00 O ATOM 0 H GLY A 14 8.595 8.224 -0.959 1.00 0.00 H new ATOM 0 HA2 GLY A 14 8.326 10.552 -0.621 1.00 0.00 H new ATOM 0 HA3 GLY A 14 8.217 10.799 -2.353 1.00 0.00 H new ATOM 192 N LYS A 15 5.799 11.012 -0.915 1.00 0.00 N ATOM 193 CA LYS A 15 4.362 11.134 -0.750 1.00 0.00 C ATOM 194 C LYS A 15 3.702 10.963 -2.116 1.00 0.00 C ATOM 195 O LYS A 15 3.786 11.834 -2.978 1.00 0.00 O ATOM 196 CB LYS A 15 4.028 12.486 -0.102 1.00 0.00 C ATOM 197 CG LYS A 15 2.530 12.612 0.210 1.00 0.00 C ATOM 198 CD LYS A 15 2.245 13.952 0.900 1.00 0.00 C ATOM 199 CE LYS A 15 0.769 14.086 1.299 1.00 0.00 C ATOM 200 NZ LYS A 15 -0.125 14.083 0.127 1.00 0.00 N ATOM 0 H LYS A 15 6.302 11.822 -0.554 1.00 0.00 H new ATOM 0 HA LYS A 15 3.977 10.360 -0.086 1.00 0.00 H new ATOM 0 HB2 LYS A 15 4.602 12.600 0.818 1.00 0.00 H new ATOM 0 HB3 LYS A 15 4.330 13.294 -0.769 1.00 0.00 H new ATOM 0 HG2 LYS A 15 1.952 12.538 -0.711 1.00 0.00 H new ATOM 0 HG3 LYS A 15 2.214 11.789 0.852 1.00 0.00 H new ATOM 0 HD2 LYS A 15 2.871 14.044 1.788 1.00 0.00 H new ATOM 0 HD3 LYS A 15 2.517 14.770 0.232 1.00 0.00 H new ATOM 0 HE2 LYS A 15 0.498 13.266 1.963 1.00 0.00 H new ATOM 0 HE3 LYS A 15 0.628 15.010 1.860 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -1.100 14.277 0.433 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 0.180 14.817 -0.544 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -0.087 13.153 -0.337 1.00 0.00 H new ATOM 214 N GLY A 16 3.050 9.818 -2.283 1.00 0.00 N ATOM 215 CA GLY A 16 2.444 9.368 -3.527 1.00 0.00 C ATOM 216 C GLY A 16 2.745 7.881 -3.723 1.00 0.00 C ATOM 217 O GLY A 16 2.046 7.187 -4.460 1.00 0.00 O ATOM 0 H GLY A 16 2.925 9.151 -1.522 1.00 0.00 H new ATOM 0 HA2 GLY A 16 1.367 9.533 -3.502 1.00 0.00 H new ATOM 0 HA3 GLY A 16 2.835 9.944 -4.365 1.00 0.00 H new ATOM 221 N THR A 17 3.778 7.384 -3.040 1.00 0.00 N ATOM 222 CA THR A 17 4.198 5.999 -3.079 1.00 0.00 C ATOM 223 C THR A 17 4.605 5.554 -1.672 1.00 0.00 C ATOM 224 O THR A 17 4.871 6.398 -0.819 1.00 0.00 O ATOM 225 CB THR A 17 5.425 5.897 -4.011 1.00 0.00 C ATOM 226 OG1 THR A 17 6.238 7.052 -3.877 1.00 0.00 O ATOM 227 CG2 THR A 17 5.059 5.798 -5.490 1.00 0.00 C ATOM 0 H THR A 17 4.357 7.959 -2.428 1.00 0.00 H new ATOM 0 HA THR A 17 3.386 5.367 -3.440 1.00 0.00 H new ATOM 0 HB THR A 17 5.941 4.986 -3.708 1.00 0.00 H new ATOM 0 HG1 THR A 17 6.033 7.500 -3.030 1.00 0.00 H new ATOM 0 HG21 THR A 17 5.969 5.729 -6.086 1.00 0.00 H new ATOM 0 HG22 THR A 17 4.449 4.910 -5.655 1.00 0.00 H new ATOM 0 HG23 THR A 17 4.497 6.684 -5.786 1.00 0.00 H new ATOM 235 N CYS A 18 4.651 4.241 -1.430 1.00 0.00 N ATOM 236 CA CYS A 18 5.128 3.644 -0.189 1.00 0.00 C ATOM 237 C CYS A 18 5.930 2.381 -0.528 1.00 0.00 C ATOM 238 O CYS A 18 5.736 1.796 -1.595 1.00 0.00 O ATOM 239 CB CYS A 18 3.960 3.351 0.759 1.00 0.00 C ATOM 240 SG CYS A 18 3.433 1.628 0.796 1.00 0.00 S ATOM 0 H CYS A 18 4.348 3.548 -2.114 1.00 0.00 H new ATOM 0 HA CYS A 18 5.782 4.342 0.335 1.00 0.00 H new ATOM 0 HB2 CYS A 18 4.244 3.651 1.767 1.00 0.00 H new ATOM 0 HB3 CYS A 18 3.111 3.970 0.470 1.00 0.00 H new ATOM 245 N CYS A 19 6.821 1.948 0.364 1.00 0.00 N ATOM 246 CA CYS A 19 7.663 0.774 0.158 1.00 0.00 C ATOM 247 C CYS A 19 6.914 -0.491 0.561 1.00 0.00 C ATOM 248 O CYS A 19 7.164 -1.034 1.632 1.00 0.00 O ATOM 249 CB CYS A 19 8.973 0.924 0.943 1.00 0.00 C ATOM 250 SG CYS A 19 10.105 2.104 0.200 1.00 0.00 S ATOM 0 H CYS A 19 6.979 2.409 1.260 1.00 0.00 H new ATOM 0 HA CYS A 19 7.911 0.691 -0.900 1.00 0.00 H new ATOM 0 HB2 CYS A 19 8.746 1.239 1.962 1.00 0.00 H new ATOM 0 HB3 CYS A 19 9.463 -0.047 1.011 1.00 0.00 H new ATOM 255 N ALA A 20 5.994 -0.970 -0.277 1.00 0.00 N ATOM 256 CA ALA A 20 5.213 -2.171 0.025 1.00 0.00 C ATOM 257 C ALA A 20 5.921 -3.410 -0.510 1.00 0.00 C ATOM 258 O ALA A 20 6.663 -3.317 -1.485 1.00 0.00 O ATOM 259 CB ALA A 20 3.806 -2.073 -0.562 1.00 0.00 C ATOM 0 H ALA A 20 5.770 -0.542 -1.175 1.00 0.00 H new ATOM 0 HA ALA A 20 5.124 -2.253 1.108 1.00 0.00 H new ATOM 0 HB1 ALA A 20 3.248 -2.978 -0.323 1.00 0.00 H new ATOM 0 HB2 ALA A 20 3.294 -1.209 -0.138 1.00 0.00 H new ATOM 0 HB3 ALA A 20 3.870 -1.962 -1.644 1.00 0.00 H new ATOM 265 N VAL A 21 5.710 -4.563 0.134 1.00 0.00 N ATOM 266 CA VAL A 21 6.317 -5.830 -0.267 1.00 0.00 C ATOM 267 C VAL A 21 6.124 -6.067 -1.772 1.00 0.00 C ATOM 268 O VAL A 21 5.069 -5.760 -2.323 1.00 0.00 O ATOM 269 CB VAL A 21 5.745 -6.994 0.568 1.00 0.00 C ATOM 270 CG1 VAL A 21 6.453 -8.310 0.238 1.00 0.00 C ATOM 271 CG2 VAL A 21 5.903 -6.742 2.073 1.00 0.00 C ATOM 0 H VAL A 21 5.108 -4.640 0.954 1.00 0.00 H new ATOM 0 HA VAL A 21 7.389 -5.781 -0.074 1.00 0.00 H new ATOM 0 HB VAL A 21 4.687 -7.061 0.315 1.00 0.00 H new ATOM 0 HG11 VAL A 21 6.029 -9.113 0.842 1.00 0.00 H new ATOM 0 HG12 VAL A 21 6.318 -8.541 -0.819 1.00 0.00 H new ATOM 0 HG13 VAL A 21 7.517 -8.215 0.456 1.00 0.00 H new ATOM 0 HG21 VAL A 21 5.489 -7.583 2.628 1.00 0.00 H new ATOM 0 HG22 VAL A 21 6.960 -6.633 2.315 1.00 0.00 H new ATOM 0 HG23 VAL A 21 5.373 -5.830 2.347 1.00 0.00 H new ATOM 281 N SER A 22 7.146 -6.590 -2.453 1.00 0.00 N ATOM 282 CA SER A 22 7.050 -6.891 -3.872 1.00 0.00 C ATOM 283 C SER A 22 5.952 -7.927 -4.112 1.00 0.00 C ATOM 284 O SER A 22 5.749 -8.851 -3.325 1.00 0.00 O ATOM 285 CB SER A 22 8.417 -7.317 -4.438 1.00 0.00 C ATOM 286 OG SER A 22 8.280 -8.200 -5.545 1.00 0.00 O ATOM 0 H SER A 22 8.050 -6.812 -2.037 1.00 0.00 H new ATOM 0 HA SER A 22 6.766 -5.990 -4.416 1.00 0.00 H new ATOM 0 HB2 SER A 22 8.974 -6.432 -4.746 1.00 0.00 H new ATOM 0 HB3 SER A 22 8.999 -7.804 -3.655 1.00 0.00 H new ATOM 0 HG SER A 22 9.168 -8.447 -5.878 1.00 0.00 H new ATOM 292 N LEU A 23 5.224 -7.760 -5.214 1.00 0.00 N ATOM 293 CA LEU A 23 4.168 -8.670 -5.630 1.00 0.00 C ATOM 294 C LEU A 23 4.771 -9.947 -6.228 1.00 0.00 C ATOM 295 O LEU A 23 4.037 -10.903 -6.465 1.00 0.00 O ATOM 296 CB LEU A 23 3.287 -7.960 -6.674 1.00 0.00 C ATOM 297 CG LEU A 23 2.209 -7.018 -6.112 1.00 0.00 C ATOM 298 CD1 LEU A 23 1.010 -7.814 -5.592 1.00 0.00 C ATOM 299 CD2 LEU A 23 2.731 -6.074 -5.023 1.00 0.00 C ATOM 0 H LEU A 23 5.356 -6.974 -5.851 1.00 0.00 H new ATOM 0 HA LEU A 23 3.564 -8.950 -4.767 1.00 0.00 H new ATOM 0 HB2 LEU A 23 3.934 -7.386 -7.337 1.00 0.00 H new ATOM 0 HB3 LEU A 23 2.797 -8.719 -7.284 1.00 0.00 H new ATOM 0 HG LEU A 23 1.895 -6.389 -6.945 1.00 0.00 H new ATOM 0 HD11 LEU A 23 0.260 -7.127 -5.199 1.00 0.00 H new ATOM 0 HD12 LEU A 23 0.578 -8.395 -6.407 1.00 0.00 H new ATOM 0 HD13 LEU A 23 1.336 -8.487 -4.799 1.00 0.00 H new ATOM 0 HD21 LEU A 23 1.918 -5.438 -4.672 1.00 0.00 H new ATOM 0 HD22 LEU A 23 3.120 -6.659 -4.190 1.00 0.00 H new ATOM 0 HD23 LEU A 23 3.527 -5.452 -5.432 1.00 0.00 H new ATOM 311 N TRP A 24 6.088 -9.969 -6.479 1.00 0.00 N ATOM 312 CA TRP A 24 6.763 -11.070 -7.157 1.00 0.00 C ATOM 313 C TRP A 24 7.769 -11.788 -6.258 1.00 0.00 C ATOM 314 O TRP A 24 7.977 -12.988 -6.420 1.00 0.00 O ATOM 315 CB TRP A 24 7.399 -10.515 -8.438 1.00 0.00 C ATOM 316 CG TRP A 24 6.412 -9.755 -9.275 1.00 0.00 C ATOM 317 CD1 TRP A 24 5.511 -10.316 -10.111 1.00 0.00 C ATOM 318 CD2 TRP A 24 6.060 -8.340 -9.202 1.00 0.00 C ATOM 319 NE1 TRP A 24 4.614 -9.361 -10.546 1.00 0.00 N ATOM 320 CE2 TRP A 24 4.885 -8.130 -9.983 1.00 0.00 C ATOM 321 CE3 TRP A 24 6.576 -7.224 -8.507 1.00 0.00 C ATOM 322 CZ2 TRP A 24 4.237 -6.888 -10.044 1.00 0.00 C ATOM 323 CZ3 TRP A 24 5.950 -5.965 -8.583 1.00 0.00 C ATOM 324 CH2 TRP A 24 4.770 -5.802 -9.331 1.00 0.00 C ATOM 0 H TRP A 24 6.716 -9.211 -6.211 1.00 0.00 H new ATOM 0 HA TRP A 24 6.037 -11.840 -7.417 1.00 0.00 H new ATOM 0 HB2 TRP A 24 8.230 -9.861 -8.175 1.00 0.00 H new ATOM 0 HB3 TRP A 24 7.812 -11.337 -9.023 1.00 0.00 H new ATOM 0 HD1 TRP A 24 5.495 -11.357 -10.397 1.00 0.00 H new ATOM 0 HE1 TRP A 24 3.851 -9.541 -11.198 1.00 0.00 H new ATOM 0 HE3 TRP A 24 7.466 -7.338 -7.907 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 3.339 -6.768 -10.632 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 6.378 -5.120 -8.064 1.00 0.00 H new ATOM 0 HH2 TRP A 24 4.274 -4.843 -9.357 1.00 0.00 H new ATOM 335 N ILE A 25 8.396 -11.078 -5.314 1.00 0.00 N ATOM 336 CA ILE A 25 9.380 -11.666 -4.416 1.00 0.00 C ATOM 337 C ILE A 25 9.336 -10.977 -3.050 1.00 0.00 C ATOM 338 O ILE A 25 9.867 -9.883 -2.864 1.00 0.00 O ATOM 339 CB ILE A 25 10.774 -11.678 -5.075 1.00 0.00 C ATOM 340 CG1 ILE A 25 11.876 -12.022 -4.059 1.00 0.00 C ATOM 341 CG2 ILE A 25 11.091 -10.353 -5.776 1.00 0.00 C ATOM 342 CD1 ILE A 25 13.134 -12.595 -4.720 1.00 0.00 C ATOM 0 H ILE A 25 8.232 -10.084 -5.156 1.00 0.00 H new ATOM 0 HA ILE A 25 9.134 -12.711 -4.229 1.00 0.00 H new ATOM 0 HB ILE A 25 10.751 -12.460 -5.834 1.00 0.00 H new ATOM 0 HG12 ILE A 25 12.141 -11.125 -3.500 1.00 0.00 H new ATOM 0 HG13 ILE A 25 11.488 -12.743 -3.339 1.00 0.00 H new ATOM 0 HG21 ILE A 25 12.082 -10.407 -6.226 1.00 0.00 H new ATOM 0 HG22 ILE A 25 10.350 -10.166 -6.553 1.00 0.00 H new ATOM 0 HG23 ILE A 25 11.067 -9.542 -5.049 1.00 0.00 H new ATOM 0 HD11 ILE A 25 13.877 -12.819 -3.955 1.00 0.00 H new ATOM 0 HD12 ILE A 25 12.879 -13.509 -5.257 1.00 0.00 H new ATOM 0 HD13 ILE A 25 13.542 -11.865 -5.419 1.00 0.00 H new ATOM 354 N LYS A 26 8.739 -11.665 -2.073 1.00 0.00 N ATOM 355 CA LYS A 26 8.590 -11.219 -0.692 1.00 0.00 C ATOM 356 C LYS A 26 9.906 -10.711 -0.082 1.00 0.00 C ATOM 357 O LYS A 26 9.884 -9.922 0.859 1.00 0.00 O ATOM 358 CB LYS A 26 7.994 -12.381 0.121 1.00 0.00 C ATOM 359 CG LYS A 26 7.627 -11.992 1.562 1.00 0.00 C ATOM 360 CD LYS A 26 7.007 -13.155 2.348 1.00 0.00 C ATOM 361 CE LYS A 26 5.620 -13.550 1.825 1.00 0.00 C ATOM 362 NZ LYS A 26 4.984 -14.551 2.700 1.00 0.00 N ATOM 0 H LYS A 26 8.331 -12.586 -2.233 1.00 0.00 H new ATOM 0 HA LYS A 26 7.919 -10.360 -0.667 1.00 0.00 H new ATOM 0 HB2 LYS A 26 7.103 -12.750 -0.386 1.00 0.00 H new ATOM 0 HB3 LYS A 26 8.710 -13.203 0.145 1.00 0.00 H new ATOM 0 HG2 LYS A 26 8.521 -11.645 2.079 1.00 0.00 H new ATOM 0 HG3 LYS A 26 6.926 -11.158 1.542 1.00 0.00 H new ATOM 0 HD2 LYS A 26 7.670 -14.018 2.295 1.00 0.00 H new ATOM 0 HD3 LYS A 26 6.929 -12.877 3.399 1.00 0.00 H new ATOM 0 HE2 LYS A 26 4.987 -12.665 1.761 1.00 0.00 H new ATOM 0 HE3 LYS A 26 5.710 -13.951 0.815 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 4.048 -14.799 2.321 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 5.578 -15.404 2.741 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 4.877 -14.158 3.657 1.00 0.00 H new ATOM 376 N SER A 27 11.053 -11.151 -0.608 1.00 0.00 N ATOM 377 CA SER A 27 12.362 -10.768 -0.108 1.00 0.00 C ATOM 378 C SER A 27 12.648 -9.267 -0.236 1.00 0.00 C ATOM 379 O SER A 27 13.576 -8.785 0.409 1.00 0.00 O ATOM 380 CB SER A 27 13.422 -11.596 -0.840 1.00 0.00 C ATOM 381 OG SER A 27 12.981 -12.938 -0.951 1.00 0.00 O ATOM 0 H SER A 27 11.091 -11.790 -1.402 1.00 0.00 H new ATOM 0 HA SER A 27 12.388 -10.974 0.962 1.00 0.00 H new ATOM 0 HB2 SER A 27 13.604 -11.179 -1.830 1.00 0.00 H new ATOM 0 HB3 SER A 27 14.367 -11.556 -0.299 1.00 0.00 H new ATOM 0 HG SER A 27 13.659 -13.467 -1.421 1.00 0.00 H new ATOM 387 N VAL A 28 11.903 -8.537 -1.075 1.00 0.00 N ATOM 388 CA VAL A 28 12.079 -7.101 -1.266 1.00 0.00 C ATOM 389 C VAL A 28 10.733 -6.385 -1.189 1.00 0.00 C ATOM 390 O VAL A 28 9.682 -7.002 -1.351 1.00 0.00 O ATOM 391 CB VAL A 28 12.766 -6.807 -2.616 1.00 0.00 C ATOM 392 CG1 VAL A 28 14.291 -6.855 -2.472 1.00 0.00 C ATOM 393 CG2 VAL A 28 12.332 -7.739 -3.745 1.00 0.00 C ATOM 0 H VAL A 28 11.155 -8.935 -1.643 1.00 0.00 H new ATOM 0 HA VAL A 28 12.720 -6.728 -0.468 1.00 0.00 H new ATOM 0 HB VAL A 28 12.445 -5.803 -2.893 1.00 0.00 H new ATOM 0 HG11 VAL A 28 14.754 -6.645 -3.436 1.00 0.00 H new ATOM 0 HG12 VAL A 28 14.611 -6.109 -1.745 1.00 0.00 H new ATOM 0 HG13 VAL A 28 14.593 -7.846 -2.132 1.00 0.00 H new ATOM 0 HG21 VAL A 28 12.858 -7.470 -4.661 1.00 0.00 H new ATOM 0 HG22 VAL A 28 12.571 -8.769 -3.479 1.00 0.00 H new ATOM 0 HG23 VAL A 28 11.258 -7.644 -3.902 1.00 0.00 H new ATOM 403 N ARG A 29 10.778 -5.070 -0.953 1.00 0.00 N ATOM 404 CA ARG A 29 9.634 -4.176 -0.966 1.00 0.00 C ATOM 405 C ARG A 29 9.984 -3.040 -1.933 1.00 0.00 C ATOM 406 O ARG A 29 11.148 -2.643 -2.017 1.00 0.00 O ATOM 407 CB ARG A 29 9.242 -3.751 0.461 1.00 0.00 C ATOM 408 CG ARG A 29 10.394 -3.217 1.311 1.00 0.00 C ATOM 409 CD ARG A 29 9.920 -2.705 2.680 1.00 0.00 C ATOM 410 NE ARG A 29 9.107 -3.704 3.388 1.00 0.00 N ATOM 411 CZ ARG A 29 9.580 -4.800 3.996 1.00 0.00 C ATOM 412 NH1 ARG A 29 10.894 -4.977 4.179 1.00 0.00 N ATOM 413 NH2 ARG A 29 8.712 -5.719 4.424 1.00 0.00 N ATOM 0 H ARG A 29 11.651 -4.588 -0.740 1.00 0.00 H new ATOM 0 HA ARG A 29 8.725 -4.655 -1.330 1.00 0.00 H new ATOM 0 HB2 ARG A 29 8.470 -2.984 0.397 1.00 0.00 H new ATOM 0 HB3 ARG A 29 8.799 -4.607 0.971 1.00 0.00 H new ATOM 0 HG2 ARG A 29 11.132 -4.006 1.456 1.00 0.00 H new ATOM 0 HG3 ARG A 29 10.893 -2.409 0.776 1.00 0.00 H new ATOM 0 HD2 ARG A 29 10.785 -2.444 3.289 1.00 0.00 H new ATOM 0 HD3 ARG A 29 9.338 -1.793 2.545 1.00 0.00 H new ATOM 0 HE ARG A 29 8.099 -3.550 3.419 1.00 0.00 H new ATOM 0 HH11 ARG A 29 11.554 -4.271 3.853 1.00 0.00 H new ATOM 0 HH12 ARG A 29 11.235 -5.818 4.644 1.00 0.00 H new ATOM 0 HH21 ARG A 29 7.711 -5.579 4.285 1.00 0.00 H new ATOM 0 HH22 ARG A 29 9.049 -6.561 4.890 1.00 0.00 H new ATOM 427 N VAL A 30 9.007 -2.589 -2.725 1.00 0.00 N ATOM 428 CA VAL A 30 9.197 -1.643 -3.815 1.00 0.00 C ATOM 429 C VAL A 30 8.293 -0.417 -3.671 1.00 0.00 C ATOM 430 O VAL A 30 7.237 -0.483 -3.030 1.00 0.00 O ATOM 431 CB VAL A 30 8.934 -2.347 -5.165 1.00 0.00 C ATOM 432 CG1 VAL A 30 9.859 -3.552 -5.378 1.00 0.00 C ATOM 433 CG2 VAL A 30 7.480 -2.816 -5.313 1.00 0.00 C ATOM 0 H VAL A 30 8.036 -2.884 -2.618 1.00 0.00 H new ATOM 0 HA VAL A 30 10.228 -1.291 -3.779 1.00 0.00 H new ATOM 0 HB VAL A 30 9.141 -1.592 -5.924 1.00 0.00 H new ATOM 0 HG11 VAL A 30 9.638 -4.015 -6.340 1.00 0.00 H new ATOM 0 HG12 VAL A 30 10.897 -3.220 -5.365 1.00 0.00 H new ATOM 0 HG13 VAL A 30 9.700 -4.278 -4.581 1.00 0.00 H new ATOM 0 HG21 VAL A 30 7.352 -3.303 -6.279 1.00 0.00 H new ATOM 0 HG22 VAL A 30 7.242 -3.521 -4.516 1.00 0.00 H new ATOM 0 HG23 VAL A 30 6.812 -1.957 -5.248 1.00 0.00 H new ATOM 443 N CYS A 31 8.713 0.693 -4.292 1.00 0.00 N ATOM 444 CA CYS A 31 7.965 1.945 -4.338 1.00 0.00 C ATOM 445 C CYS A 31 6.651 1.705 -5.079 1.00 0.00 C ATOM 446 O CYS A 31 6.577 1.852 -6.297 1.00 0.00 O ATOM 447 CB CYS A 31 8.756 3.051 -5.055 1.00 0.00 C ATOM 448 SG CYS A 31 10.247 3.671 -4.244 1.00 0.00 S ATOM 0 H CYS A 31 9.604 0.741 -4.786 1.00 0.00 H new ATOM 0 HA CYS A 31 7.779 2.274 -3.315 1.00 0.00 H new ATOM 0 HB2 CYS A 31 9.039 2.678 -6.039 1.00 0.00 H new ATOM 0 HB3 CYS A 31 8.085 3.895 -5.215 1.00 0.00 H new ATOM 453 N THR A 32 5.608 1.351 -4.338 1.00 0.00 N ATOM 454 CA THR A 32 4.289 1.053 -4.864 1.00 0.00 C ATOM 455 C THR A 32 3.432 2.307 -4.669 1.00 0.00 C ATOM 456 O THR A 32 3.518 2.915 -3.603 1.00 0.00 O ATOM 457 CB THR A 32 3.726 -0.138 -4.076 1.00 0.00 C ATOM 458 OG1 THR A 32 4.676 -1.187 -4.057 1.00 0.00 O ATOM 459 CG2 THR A 32 2.417 -0.674 -4.661 1.00 0.00 C ATOM 0 H THR A 32 5.663 1.262 -3.323 1.00 0.00 H new ATOM 0 HA THR A 32 4.307 0.791 -5.922 1.00 0.00 H new ATOM 0 HB THR A 32 3.517 0.222 -3.069 1.00 0.00 H new ATOM 0 HG1 THR A 32 5.465 -0.904 -3.550 1.00 0.00 H new ATOM 0 HG21 THR A 32 2.068 -1.515 -4.062 1.00 0.00 H new ATOM 0 HG22 THR A 32 1.665 0.115 -4.652 1.00 0.00 H new ATOM 0 HG23 THR A 32 2.585 -1.004 -5.686 1.00 0.00 H new ATOM 467 N PRO A 33 2.658 2.758 -5.668 1.00 0.00 N ATOM 468 CA PRO A 33 1.785 3.913 -5.512 1.00 0.00 C ATOM 469 C PRO A 33 0.817 3.749 -4.339 1.00 0.00 C ATOM 470 O PRO A 33 0.487 2.623 -3.964 1.00 0.00 O ATOM 471 CB PRO A 33 1.007 4.014 -6.827 1.00 0.00 C ATOM 472 CG PRO A 33 1.955 3.383 -7.845 1.00 0.00 C ATOM 473 CD PRO A 33 2.629 2.273 -7.039 1.00 0.00 C ATOM 0 HA PRO A 33 2.367 4.810 -5.298 1.00 0.00 H new ATOM 0 HB2 PRO A 33 0.058 3.479 -6.775 1.00 0.00 H new ATOM 0 HB3 PRO A 33 0.776 5.049 -7.080 1.00 0.00 H new ATOM 0 HG2 PRO A 33 1.418 2.988 -8.707 1.00 0.00 H new ATOM 0 HG3 PRO A 33 2.679 4.104 -8.224 1.00 0.00 H new ATOM 0 HD2 PRO A 33 2.072 1.339 -7.114 1.00 0.00 H new ATOM 0 HD3 PRO A 33 3.635 2.075 -7.408 1.00 0.00 H new ATOM 481 N VAL A 34 0.357 4.864 -3.757 1.00 0.00 N ATOM 482 CA VAL A 34 -0.724 4.797 -2.773 1.00 0.00 C ATOM 483 C VAL A 34 -1.912 4.080 -3.437 1.00 0.00 C ATOM 484 O VAL A 34 -2.114 4.188 -4.647 1.00 0.00 O ATOM 485 CB VAL A 34 -1.150 6.184 -2.259 1.00 0.00 C ATOM 486 CG1 VAL A 34 -0.365 6.646 -1.026 1.00 0.00 C ATOM 487 CG2 VAL A 34 -1.028 7.253 -3.341 1.00 0.00 C ATOM 0 H VAL A 34 0.709 5.802 -3.946 1.00 0.00 H new ATOM 0 HA VAL A 34 -0.371 4.251 -1.898 1.00 0.00 H new ATOM 0 HB VAL A 34 -2.195 6.063 -1.972 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -0.717 7.631 -0.718 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -0.515 5.936 -0.212 1.00 0.00 H new ATOM 0 HG13 VAL A 34 0.696 6.700 -1.269 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -1.338 8.217 -2.937 1.00 0.00 H new ATOM 0 HG22 VAL A 34 0.008 7.316 -3.675 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -1.666 6.991 -4.185 1.00 0.00 H new ATOM 497 N GLY A 35 -2.701 3.349 -2.653 1.00 0.00 N ATOM 498 CA GLY A 35 -3.785 2.531 -3.175 1.00 0.00 C ATOM 499 C GLY A 35 -4.840 3.347 -3.930 1.00 0.00 C ATOM 500 O GLY A 35 -5.493 4.214 -3.350 1.00 0.00 O ATOM 0 H GLY A 35 -2.604 3.309 -1.638 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -3.373 1.774 -3.842 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -4.264 2.003 -2.351 1.00 0.00 H new ATOM 504 N THR A 36 -5.025 3.061 -5.219 1.00 0.00 N ATOM 505 CA THR A 36 -5.986 3.724 -6.087 1.00 0.00 C ATOM 506 C THR A 36 -7.248 2.862 -6.210 1.00 0.00 C ATOM 507 O THR A 36 -7.297 1.739 -5.710 1.00 0.00 O ATOM 508 CB THR A 36 -5.310 3.941 -7.449 1.00 0.00 C ATOM 509 OG1 THR A 36 -4.580 2.779 -7.794 1.00 0.00 O ATOM 510 CG2 THR A 36 -4.338 5.122 -7.386 1.00 0.00 C ATOM 0 H THR A 36 -4.490 2.337 -5.699 1.00 0.00 H new ATOM 0 HA THR A 36 -6.291 4.688 -5.680 1.00 0.00 H new ATOM 0 HB THR A 36 -6.081 4.148 -8.191 1.00 0.00 H new ATOM 0 HG1 THR A 36 -4.147 2.911 -8.663 1.00 0.00 H new ATOM 0 HG21 THR A 36 -3.869 5.260 -8.360 1.00 0.00 H new ATOM 0 HG22 THR A 36 -4.882 6.027 -7.114 1.00 0.00 H new ATOM 0 HG23 THR A 36 -3.570 4.922 -6.639 1.00 0.00 H new ATOM 518 N SER A 37 -8.284 3.402 -6.856 1.00 0.00 N ATOM 519 CA SER A 37 -9.586 2.791 -7.057 1.00 0.00 C ATOM 520 C SER A 37 -9.531 1.291 -7.366 1.00 0.00 C ATOM 521 O SER A 37 -9.126 0.903 -8.459 1.00 0.00 O ATOM 522 CB SER A 37 -10.266 3.562 -8.193 1.00 0.00 C ATOM 523 OG SER A 37 -9.975 4.944 -8.053 1.00 0.00 O ATOM 0 H SER A 37 -8.226 4.331 -7.274 1.00 0.00 H new ATOM 0 HA SER A 37 -10.151 2.854 -6.127 1.00 0.00 H new ATOM 0 HB2 SER A 37 -9.913 3.199 -9.158 1.00 0.00 H new ATOM 0 HB3 SER A 37 -11.343 3.400 -8.166 1.00 0.00 H new ATOM 0 HG SER A 37 -10.405 5.444 -8.778 1.00 0.00 H new ATOM 529 N GLY A 38 -9.951 0.453 -6.415 1.00 0.00 N ATOM 530 CA GLY A 38 -10.030 -0.990 -6.601 1.00 0.00 C ATOM 531 C GLY A 38 -8.762 -1.748 -6.205 1.00 0.00 C ATOM 532 O GLY A 38 -8.791 -2.978 -6.158 1.00 0.00 O ATOM 0 H GLY A 38 -10.247 0.763 -5.489 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -10.866 -1.374 -6.017 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -10.251 -1.198 -7.648 1.00 0.00 H new ATOM 536 N GLU A 39 -7.652 -1.063 -5.916 1.00 0.00 N ATOM 537 CA GLU A 39 -6.442 -1.749 -5.485 1.00 0.00 C ATOM 538 C GLU A 39 -6.688 -2.388 -4.118 1.00 0.00 C ATOM 539 O GLU A 39 -7.353 -1.794 -3.267 1.00 0.00 O ATOM 540 CB GLU A 39 -5.258 -0.776 -5.414 1.00 0.00 C ATOM 541 CG GLU A 39 -4.857 -0.233 -6.794 1.00 0.00 C ATOM 542 CD GLU A 39 -4.412 -1.328 -7.760 1.00 0.00 C ATOM 543 OE1 GLU A 39 -3.653 -2.212 -7.308 1.00 0.00 O ATOM 544 OE2 GLU A 39 -4.838 -1.261 -8.933 1.00 0.00 O ATOM 0 H GLU A 39 -7.571 -0.048 -5.973 1.00 0.00 H new ATOM 0 HA GLU A 39 -6.194 -2.523 -6.211 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -5.516 0.057 -4.761 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -4.403 -1.281 -4.964 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -5.701 0.304 -7.226 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -4.049 0.488 -6.674 1.00 0.00 H new ATOM 551 N ASP A 40 -6.164 -3.602 -3.920 1.00 0.00 N ATOM 552 CA ASP A 40 -6.276 -4.322 -2.662 1.00 0.00 C ATOM 553 C ASP A 40 -5.554 -3.542 -1.569 1.00 0.00 C ATOM 554 O ASP A 40 -4.538 -2.900 -1.839 1.00 0.00 O ATOM 555 CB ASP A 40 -5.686 -5.727 -2.809 1.00 0.00 C ATOM 556 CG ASP A 40 -6.484 -6.566 -3.798 1.00 0.00 C ATOM 557 OD1 ASP A 40 -7.572 -7.035 -3.399 1.00 0.00 O ATOM 558 OD2 ASP A 40 -6.009 -6.694 -4.947 1.00 0.00 O ATOM 0 H ASP A 40 -5.648 -4.110 -4.638 1.00 0.00 H new ATOM 0 HA ASP A 40 -7.326 -4.422 -2.388 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -4.651 -5.655 -3.143 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -5.674 -6.221 -1.838 1.00 0.00 H new ATOM 563 N CYS A 41 -6.064 -3.600 -0.338 1.00 0.00 N ATOM 564 CA CYS A 41 -5.500 -2.846 0.773 1.00 0.00 C ATOM 565 C CYS A 41 -5.613 -3.606 2.084 1.00 0.00 C ATOM 566 O CYS A 41 -6.538 -4.387 2.288 1.00 0.00 O ATOM 567 CB CYS A 41 -6.218 -1.501 0.895 1.00 0.00 C ATOM 568 SG CYS A 41 -7.996 -1.636 1.193 1.00 0.00 S ATOM 0 H CYS A 41 -6.874 -4.168 -0.088 1.00 0.00 H new ATOM 0 HA CYS A 41 -4.441 -2.688 0.569 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -5.767 -0.933 1.708 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -6.056 -0.931 -0.020 1.00 0.00 H new ATOM 573 N HIS A 42 -4.669 -3.343 2.987 1.00 0.00 N ATOM 574 CA HIS A 42 -4.645 -3.888 4.330 1.00 0.00 C ATOM 575 C HIS A 42 -5.225 -2.790 5.221 1.00 0.00 C ATOM 576 O HIS A 42 -4.735 -1.659 5.159 1.00 0.00 O ATOM 577 CB HIS A 42 -3.198 -4.200 4.731 1.00 0.00 C ATOM 578 CG HIS A 42 -3.079 -4.937 6.038 1.00 0.00 C ATOM 579 ND1 HIS A 42 -3.729 -4.519 7.200 1.00 0.00 N ATOM 580 CD2 HIS A 42 -2.407 -6.095 6.306 1.00 0.00 C ATOM 581 CE1 HIS A 42 -3.449 -5.462 8.105 1.00 0.00 C ATOM 582 NE2 HIS A 42 -2.650 -6.424 7.622 1.00 0.00 N ATOM 0 H HIS A 42 -3.880 -2.726 2.792 1.00 0.00 H new ATOM 0 HA HIS A 42 -5.214 -4.814 4.415 1.00 0.00 H new ATOM 0 HB2 HIS A 42 -2.732 -4.794 3.945 1.00 0.00 H new ATOM 0 HB3 HIS A 42 -2.639 -3.266 4.798 1.00 0.00 H new ATOM 0 HD2 HIS A 42 -1.795 -6.652 5.612 1.00 0.00 H new ATOM 0 HE1 HIS A 42 -3.826 -5.450 9.117 1.00 0.00 H new ATOM 0 HE2 HIS A 42 -2.294 -7.236 8.127 1.00 0.00 H new ATOM 590 N PRO A 43 -6.249 -3.073 6.039 1.00 0.00 N ATOM 591 CA PRO A 43 -6.877 -2.063 6.875 1.00 0.00 C ATOM 592 C PRO A 43 -5.877 -1.364 7.802 1.00 0.00 C ATOM 593 O PRO A 43 -6.108 -0.219 8.182 1.00 0.00 O ATOM 594 CB PRO A 43 -7.993 -2.786 7.637 1.00 0.00 C ATOM 595 CG PRO A 43 -7.546 -4.248 7.633 1.00 0.00 C ATOM 596 CD PRO A 43 -6.823 -4.385 6.295 1.00 0.00 C ATOM 0 HA PRO A 43 -7.284 -1.251 6.273 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -8.099 -2.402 8.652 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -8.959 -2.661 7.147 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -6.887 -4.470 8.472 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -8.394 -4.929 7.705 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -6.049 -5.152 6.341 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -7.512 -4.675 5.502 1.00 0.00 H new ATOM 604 N ALA A 44 -4.766 -2.024 8.153 1.00 0.00 N ATOM 605 CA ALA A 44 -3.737 -1.460 9.012 1.00 0.00 C ATOM 606 C ALA A 44 -2.525 -0.945 8.224 1.00 0.00 C ATOM 607 O ALA A 44 -1.467 -0.782 8.827 1.00 0.00 O ATOM 608 CB ALA A 44 -3.320 -2.511 10.046 1.00 0.00 C ATOM 0 H ALA A 44 -4.562 -2.973 7.841 1.00 0.00 H new ATOM 0 HA ALA A 44 -4.155 -0.590 9.518 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -2.548 -2.097 10.695 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -4.185 -2.794 10.646 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -2.930 -3.390 9.534 1.00 0.00 H new ATOM 614 N SER A 45 -2.648 -0.688 6.910 1.00 0.00 N ATOM 615 CA SER A 45 -1.562 -0.136 6.108 1.00 0.00 C ATOM 616 C SER A 45 -0.959 1.075 6.830 1.00 0.00 C ATOM 617 O SER A 45 -1.644 2.080 7.007 1.00 0.00 O ATOM 618 CB SER A 45 -2.104 0.302 4.741 1.00 0.00 C ATOM 619 OG SER A 45 -2.431 -0.807 3.920 1.00 0.00 O ATOM 0 H SER A 45 -3.504 -0.859 6.383 1.00 0.00 H new ATOM 0 HA SER A 45 -0.794 -0.896 5.966 1.00 0.00 H new ATOM 0 HB2 SER A 45 -2.990 0.921 4.883 1.00 0.00 H new ATOM 0 HB3 SER A 45 -1.361 0.920 4.237 1.00 0.00 H new ATOM 0 HG SER A 45 -3.254 -1.226 4.249 1.00 0.00 H new ATOM 625 N HIS A 46 0.315 0.992 7.234 1.00 0.00 N ATOM 626 CA HIS A 46 0.965 2.056 7.996 1.00 0.00 C ATOM 627 C HIS A 46 0.869 3.379 7.254 1.00 0.00 C ATOM 628 O HIS A 46 1.016 3.396 6.031 1.00 0.00 O ATOM 629 CB HIS A 46 2.442 1.748 8.266 1.00 0.00 C ATOM 630 CG HIS A 46 2.725 0.299 8.469 1.00 0.00 C ATOM 631 ND1 HIS A 46 2.862 -0.592 7.404 1.00 0.00 N ATOM 632 CD2 HIS A 46 2.744 -0.378 9.646 1.00 0.00 C ATOM 633 CE1 HIS A 46 3.001 -1.782 8.001 1.00 0.00 C ATOM 634 NE2 HIS A 46 2.938 -1.709 9.343 1.00 0.00 N ATOM 0 H HIS A 46 0.917 0.191 7.042 1.00 0.00 H new ATOM 0 HA HIS A 46 0.443 2.123 8.951 1.00 0.00 H new ATOM 0 HB2 HIS A 46 3.039 2.112 7.429 1.00 0.00 H new ATOM 0 HB3 HIS A 46 2.763 2.299 9.150 1.00 0.00 H new ATOM 0 HD2 HIS A 46 2.629 0.046 10.633 1.00 0.00 H new ATOM 0 HE1 HIS A 46 3.149 -2.706 7.461 1.00 0.00 H new ATOM 0 HE2 HIS A 46 3.018 -2.482 10.003 1.00 0.00 H new ATOM 642 N LYS A 47 0.680 4.474 7.987 1.00 0.00 N ATOM 643 CA LYS A 47 0.539 5.801 7.399 1.00 0.00 C ATOM 644 C LYS A 47 1.762 6.197 6.562 1.00 0.00 C ATOM 645 O LYS A 47 2.803 5.542 6.607 1.00 0.00 O ATOM 646 CB LYS A 47 0.248 6.835 8.496 1.00 0.00 C ATOM 647 CG LYS A 47 -1.038 6.541 9.281 1.00 0.00 C ATOM 648 CD LYS A 47 -2.246 6.373 8.349 1.00 0.00 C ATOM 649 CE LYS A 47 -3.553 6.414 9.146 1.00 0.00 C ATOM 650 NZ LYS A 47 -4.718 6.176 8.275 1.00 0.00 N ATOM 0 H LYS A 47 0.621 4.465 9.005 1.00 0.00 H new ATOM 0 HA LYS A 47 -0.307 5.775 6.712 1.00 0.00 H new ATOM 0 HB2 LYS A 47 1.089 6.866 9.189 1.00 0.00 H new ATOM 0 HB3 LYS A 47 0.171 7.823 8.043 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -0.905 5.634 9.871 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -1.230 7.353 9.983 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -2.246 7.164 7.599 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -2.170 5.427 7.814 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -3.525 5.661 9.934 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -3.653 7.383 9.635 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -5.589 6.210 8.843 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -4.756 6.909 7.538 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -4.632 5.241 7.828 1.00 0.00 H new ATOM 664 N ILE A 48 1.610 7.248 5.755 1.00 0.00 N ATOM 665 CA ILE A 48 2.672 7.785 4.908 1.00 0.00 C ATOM 666 C ILE A 48 3.349 8.932 5.673 1.00 0.00 C ATOM 667 O ILE A 48 2.625 9.761 6.223 1.00 0.00 O ATOM 668 CB ILE A 48 2.064 8.331 3.596 1.00 0.00 C ATOM 669 CG1 ILE A 48 1.345 7.264 2.751 1.00 0.00 C ATOM 670 CG2 ILE A 48 3.108 9.061 2.736 1.00 0.00 C ATOM 671 CD1 ILE A 48 2.282 6.260 2.074 1.00 0.00 C ATOM 0 H ILE A 48 0.730 7.757 5.671 1.00 0.00 H new ATOM 0 HA ILE A 48 3.395 7.006 4.664 1.00 0.00 H new ATOM 0 HB ILE A 48 1.307 9.045 3.921 1.00 0.00 H new ATOM 0 HG12 ILE A 48 0.649 6.720 3.389 1.00 0.00 H new ATOM 0 HG13 ILE A 48 0.752 7.763 1.985 1.00 0.00 H new ATOM 0 HG21 ILE A 48 2.636 9.428 1.824 1.00 0.00 H new ATOM 0 HG22 ILE A 48 3.517 9.902 3.296 1.00 0.00 H new ATOM 0 HG23 ILE A 48 3.912 8.372 2.477 1.00 0.00 H new ATOM 0 HD11 ILE A 48 1.694 5.544 1.499 1.00 0.00 H new ATOM 0 HD12 ILE A 48 2.962 6.790 1.407 1.00 0.00 H new ATOM 0 HD13 ILE A 48 2.858 5.730 2.833 1.00 0.00 H new ATOM 683 N PRO A 49 4.688 9.059 5.684 1.00 0.00 N ATOM 684 CA PRO A 49 5.693 8.116 5.214 1.00 0.00 C ATOM 685 C PRO A 49 6.099 7.194 6.372 1.00 0.00 C ATOM 686 O PRO A 49 6.317 7.663 7.487 1.00 0.00 O ATOM 687 CB PRO A 49 6.868 8.998 4.791 1.00 0.00 C ATOM 688 CG PRO A 49 6.817 10.155 5.791 1.00 0.00 C ATOM 689 CD PRO A 49 5.326 10.297 6.110 1.00 0.00 C ATOM 0 HA PRO A 49 5.344 7.481 4.399 1.00 0.00 H new ATOM 0 HB2 PRO A 49 7.815 8.460 4.846 1.00 0.00 H new ATOM 0 HB3 PRO A 49 6.759 9.348 3.765 1.00 0.00 H new ATOM 0 HG2 PRO A 49 7.398 9.936 6.686 1.00 0.00 H new ATOM 0 HG3 PRO A 49 7.224 11.071 5.363 1.00 0.00 H new ATOM 0 HD2 PRO A 49 5.172 10.465 7.176 1.00 0.00 H new ATOM 0 HD3 PRO A 49 4.898 11.153 5.588 1.00 0.00 H new ATOM 697 N PHE A 50 6.217 5.890 6.120 1.00 0.00 N ATOM 698 CA PHE A 50 6.617 4.914 7.123 1.00 0.00 C ATOM 699 C PHE A 50 8.098 4.576 6.963 1.00 0.00 C ATOM 700 O PHE A 50 8.538 4.137 5.900 1.00 0.00 O ATOM 701 CB PHE A 50 5.749 3.659 7.007 1.00 0.00 C ATOM 702 CG PHE A 50 5.876 2.690 8.169 1.00 0.00 C ATOM 703 CD1 PHE A 50 5.450 3.071 9.455 1.00 0.00 C ATOM 704 CD2 PHE A 50 6.333 1.379 7.951 1.00 0.00 C ATOM 705 CE1 PHE A 50 5.479 2.145 10.513 1.00 0.00 C ATOM 706 CE2 PHE A 50 6.318 0.438 8.996 1.00 0.00 C ATOM 707 CZ PHE A 50 5.903 0.825 10.281 1.00 0.00 C ATOM 0 H PHE A 50 6.035 5.482 5.203 1.00 0.00 H new ATOM 0 HA PHE A 50 6.471 5.338 8.117 1.00 0.00 H new ATOM 0 HB2 PHE A 50 4.706 3.962 6.917 1.00 0.00 H new ATOM 0 HB3 PHE A 50 6.010 3.137 6.086 1.00 0.00 H new ATOM 0 HD1 PHE A 50 5.100 4.078 9.630 1.00 0.00 H new ATOM 0 HD2 PHE A 50 6.698 1.093 6.976 1.00 0.00 H new ATOM 0 HE1 PHE A 50 5.175 2.448 11.504 1.00 0.00 H new ATOM 0 HE2 PHE A 50 6.625 -0.581 8.811 1.00 0.00 H new ATOM 0 HZ PHE A 50 5.910 0.109 11.090 1.00 0.00 H new ATOM 717 N SER A 51 8.869 4.806 8.027 1.00 0.00 N ATOM 718 CA SER A 51 10.287 4.511 8.107 1.00 0.00 C ATOM 719 C SER A 51 10.531 3.013 8.317 1.00 0.00 C ATOM 720 O SER A 51 11.517 2.471 7.819 1.00 0.00 O ATOM 721 CB SER A 51 10.851 5.328 9.273 1.00 0.00 C ATOM 722 OG SER A 51 9.913 5.325 10.339 1.00 0.00 O ATOM 0 H SER A 51 8.502 5.218 8.885 1.00 0.00 H new ATOM 0 HA SER A 51 10.785 4.777 7.174 1.00 0.00 H new ATOM 0 HB2 SER A 51 11.799 4.905 9.605 1.00 0.00 H new ATOM 0 HB3 SER A 51 11.053 6.350 8.953 1.00 0.00 H new ATOM 0 HG SER A 51 10.269 5.845 11.089 1.00 0.00 H new ATOM 728 N GLY A 52 9.667 2.353 9.094 1.00 0.00 N ATOM 729 CA GLY A 52 9.792 0.937 9.386 1.00 0.00 C ATOM 730 C GLY A 52 9.591 0.080 8.137 1.00 0.00 C ATOM 731 O GLY A 52 9.179 0.560 7.082 1.00 0.00 O ATOM 0 H GLY A 52 8.861 2.795 9.536 1.00 0.00 H new ATOM 0 HA2 GLY A 52 10.777 0.739 9.808 1.00 0.00 H new ATOM 0 HA3 GLY A 52 9.059 0.656 10.142 1.00 0.00 H new ATOM 735 N GLN A 53 9.875 -1.216 8.261 1.00 0.00 N ATOM 736 CA GLN A 53 9.707 -2.155 7.168 1.00 0.00 C ATOM 737 C GLN A 53 8.233 -2.535 7.065 1.00 0.00 C ATOM 738 O GLN A 53 7.670 -3.129 7.984 1.00 0.00 O ATOM 739 CB GLN A 53 10.604 -3.380 7.399 1.00 0.00 C ATOM 740 CG GLN A 53 12.100 -3.033 7.341 1.00 0.00 C ATOM 741 CD GLN A 53 12.465 -2.316 6.044 1.00 0.00 C ATOM 742 OE1 GLN A 53 12.657 -2.951 5.010 1.00 0.00 O ATOM 743 NE2 GLN A 53 12.510 -0.988 6.078 1.00 0.00 N ATOM 0 H GLN A 53 10.226 -1.637 9.121 1.00 0.00 H new ATOM 0 HA GLN A 53 10.008 -1.703 6.223 1.00 0.00 H new ATOM 0 HB2 GLN A 53 10.373 -3.817 8.370 1.00 0.00 H new ATOM 0 HB3 GLN A 53 10.380 -4.137 6.647 1.00 0.00 H new ATOM 0 HG2 GLN A 53 12.360 -2.402 8.191 1.00 0.00 H new ATOM 0 HG3 GLN A 53 12.689 -3.946 7.430 1.00 0.00 H new ATOM 0 HE21 GLN A 53 12.345 -0.494 6.955 1.00 0.00 H new ATOM 0 HE22 GLN A 53 12.709 -0.463 5.227 1.00 0.00 H new ATOM 752 N ARG A 54 7.590 -2.157 5.959 1.00 0.00 N ATOM 753 CA ARG A 54 6.194 -2.476 5.733 1.00 0.00 C ATOM 754 C ARG A 54 6.034 -3.976 5.517 1.00 0.00 C ATOM 755 O ARG A 54 6.191 -4.473 4.404 1.00 0.00 O ATOM 756 CB ARG A 54 5.636 -1.719 4.527 1.00 0.00 C ATOM 757 CG ARG A 54 5.587 -0.212 4.777 1.00 0.00 C ATOM 758 CD ARG A 54 4.931 0.493 3.589 1.00 0.00 C ATOM 759 NE ARG A 54 4.656 1.905 3.878 1.00 0.00 N ATOM 760 CZ ARG A 54 3.545 2.352 4.480 1.00 0.00 C ATOM 761 NH1 ARG A 54 2.648 1.491 4.964 1.00 0.00 N ATOM 762 NH2 ARG A 54 3.332 3.657 4.618 1.00 0.00 N ATOM 0 H ARG A 54 8.025 -1.626 5.205 1.00 0.00 H new ATOM 0 HA ARG A 54 5.632 -2.169 6.615 1.00 0.00 H new ATOM 0 HB2 ARG A 54 6.254 -1.923 3.652 1.00 0.00 H new ATOM 0 HB3 ARG A 54 4.634 -2.083 4.301 1.00 0.00 H new ATOM 0 HG2 ARG A 54 5.027 -0.004 5.689 1.00 0.00 H new ATOM 0 HG3 ARG A 54 6.595 0.173 4.928 1.00 0.00 H new ATOM 0 HD2 ARG A 54 5.582 0.420 2.718 1.00 0.00 H new ATOM 0 HD3 ARG A 54 4.000 -0.014 3.334 1.00 0.00 H new ATOM 0 HE ARG A 54 5.357 2.592 3.602 1.00 0.00 H new ATOM 0 HH11 ARG A 54 2.806 0.487 4.877 1.00 0.00 H new ATOM 0 HH12 ARG A 54 1.804 1.837 5.421 1.00 0.00 H new ATOM 0 HH21 ARG A 54 4.016 4.326 4.265 1.00 0.00 H new ATOM 0 HH22 ARG A 54 2.484 3.990 5.077 1.00 0.00 H new ATOM 776 N MET A 55 5.727 -4.703 6.591 1.00 0.00 N ATOM 777 CA MET A 55 5.394 -6.116 6.507 1.00 0.00 C ATOM 778 C MET A 55 4.165 -6.278 5.600 1.00 0.00 C ATOM 779 O MET A 55 4.038 -7.265 4.881 1.00 0.00 O ATOM 780 CB MET A 55 5.121 -6.644 7.922 1.00 0.00 C ATOM 781 CG MET A 55 4.873 -8.158 7.933 1.00 0.00 C ATOM 782 SD MET A 55 4.648 -8.896 9.573 1.00 0.00 S ATOM 783 CE MET A 55 3.072 -8.154 10.055 1.00 0.00 C ATOM 0 H MET A 55 5.703 -4.326 7.539 1.00 0.00 H new ATOM 0 HA MET A 55 6.217 -6.689 6.080 1.00 0.00 H new ATOM 0 HB2 MET A 55 5.969 -6.411 8.566 1.00 0.00 H new ATOM 0 HB3 MET A 55 4.254 -6.132 8.339 1.00 0.00 H new ATOM 0 HG2 MET A 55 3.987 -8.368 7.334 1.00 0.00 H new ATOM 0 HG3 MET A 55 5.713 -8.650 7.444 1.00 0.00 H new ATOM 0 HE1 MET A 55 2.721 -8.613 10.979 1.00 0.00 H new ATOM 0 HE2 MET A 55 3.206 -7.083 10.210 1.00 0.00 H new ATOM 0 HE3 MET A 55 2.337 -8.317 9.267 1.00 0.00 H new ATOM 793 N HIS A 56 3.249 -5.306 5.657 1.00 0.00 N ATOM 794 CA HIS A 56 2.039 -5.300 4.854 1.00 0.00 C ATOM 795 C HIS A 56 2.370 -5.111 3.374 1.00 0.00 C ATOM 796 O HIS A 56 3.218 -4.305 2.997 1.00 0.00 O ATOM 797 CB HIS A 56 1.076 -4.208 5.333 1.00 0.00 C ATOM 798 CG HIS A 56 0.659 -4.341 6.774 1.00 0.00 C ATOM 799 ND1 HIS A 56 0.191 -3.241 7.484 1.00 0.00 N ATOM 800 CD2 HIS A 56 0.683 -5.429 7.608 1.00 0.00 C ATOM 801 CE1 HIS A 56 -0.054 -3.702 8.711 1.00 0.00 C ATOM 802 NE2 HIS A 56 0.226 -5.008 8.840 1.00 0.00 N ATOM 0 H HIS A 56 3.335 -4.496 6.271 1.00 0.00 H new ATOM 0 HA HIS A 56 1.549 -6.266 4.974 1.00 0.00 H new ATOM 0 HB2 HIS A 56 1.548 -3.236 5.191 1.00 0.00 H new ATOM 0 HB3 HIS A 56 0.185 -4.224 4.706 1.00 0.00 H new ATOM 0 HD2 HIS A 56 1.000 -6.428 7.349 1.00 0.00 H new ATOM 0 HE1 HIS A 56 -0.437 -3.090 9.514 1.00 0.00 H new ATOM 0 HE2 HIS A 56 0.122 -5.576 9.681 1.00 0.00 H new ATOM 810 N HIS A 57 1.641 -5.845 2.537 1.00 0.00 N ATOM 811 CA HIS A 57 1.781 -5.847 1.090 1.00 0.00 C ATOM 812 C HIS A 57 1.204 -4.633 0.387 1.00 0.00 C ATOM 813 O HIS A 57 1.309 -4.548 -0.835 1.00 0.00 O ATOM 814 CB HIS A 57 1.072 -7.095 0.539 1.00 0.00 C ATOM 815 CG HIS A 57 1.909 -7.897 -0.400 1.00 0.00 C ATOM 816 ND1 HIS A 57 1.947 -9.280 -0.309 1.00 0.00 N ATOM 817 CD2 HIS A 57 2.670 -7.489 -1.462 1.00 0.00 C ATOM 818 CE1 HIS A 57 2.768 -9.641 -1.292 1.00 0.00 C ATOM 819 NE2 HIS A 57 3.284 -8.609 -1.970 1.00 0.00 N ATOM 0 H HIS A 57 0.910 -6.477 2.864 1.00 0.00 H new ATOM 0 HA HIS A 57 2.853 -5.836 0.892 1.00 0.00 H new ATOM 0 HB2 HIS A 57 0.770 -7.728 1.373 1.00 0.00 H new ATOM 0 HB3 HIS A 57 0.161 -6.787 0.026 1.00 0.00 H new ATOM 0 HD2 HIS A 57 2.769 -6.479 -1.831 1.00 0.00 H new ATOM 0 HE1 HIS A 57 2.997 -10.671 -1.521 1.00 0.00 H new ATOM 0 HE2 HIS A 57 3.986 -8.646 -2.709 1.00 0.00 H new ATOM 827 N THR A 58 0.558 -3.726 1.115 1.00 0.00 N ATOM 828 CA THR A 58 -0.199 -2.665 0.489 1.00 0.00 C ATOM 829 C THR A 58 0.134 -1.315 1.100 1.00 0.00 C ATOM 830 O THR A 58 0.559 -1.228 2.252 1.00 0.00 O ATOM 831 CB THR A 58 -1.687 -3.026 0.621 1.00 0.00 C ATOM 832 OG1 THR A 58 -2.124 -2.927 1.971 1.00 0.00 O ATOM 833 CG2 THR A 58 -1.923 -4.478 0.146 1.00 0.00 C ATOM 0 H THR A 58 0.548 -3.711 2.135 1.00 0.00 H new ATOM 0 HA THR A 58 0.059 -2.574 -0.566 1.00 0.00 H new ATOM 0 HB THR A 58 -2.249 -2.324 0.006 1.00 0.00 H new ATOM 0 HG1 THR A 58 -2.159 -1.984 2.235 1.00 0.00 H new ATOM 0 HG21 THR A 58 -2.980 -4.725 0.243 1.00 0.00 H new ATOM 0 HG22 THR A 58 -1.622 -4.573 -0.897 1.00 0.00 H new ATOM 0 HG23 THR A 58 -1.333 -5.161 0.757 1.00 0.00 H new ATOM 841 N CYS A 59 -0.085 -0.261 0.317 1.00 0.00 N ATOM 842 CA CYS A 59 0.112 1.108 0.746 1.00 0.00 C ATOM 843 C CYS A 59 -1.252 1.669 1.117 1.00 0.00 C ATOM 844 O CYS A 59 -2.258 1.196 0.585 1.00 0.00 O ATOM 845 CB CYS A 59 0.682 1.945 -0.403 1.00 0.00 C ATOM 846 SG CYS A 59 2.332 1.479 -0.948 1.00 0.00 S ATOM 0 H CYS A 59 -0.409 -0.343 -0.647 1.00 0.00 H new ATOM 0 HA CYS A 59 0.805 1.139 1.587 1.00 0.00 H new ATOM 0 HB2 CYS A 59 0.003 1.875 -1.253 1.00 0.00 H new ATOM 0 HB3 CYS A 59 0.701 2.990 -0.095 1.00 0.00 H new ATOM 851 N PRO A 60 -1.313 2.661 2.017 1.00 0.00 N ATOM 852 CA PRO A 60 -2.558 3.329 2.338 1.00 0.00 C ATOM 853 C PRO A 60 -3.226 3.836 1.064 1.00 0.00 C ATOM 854 O PRO A 60 -2.558 4.113 0.064 1.00 0.00 O ATOM 855 CB PRO A 60 -2.186 4.490 3.261 1.00 0.00 C ATOM 856 CG PRO A 60 -0.931 3.960 3.942 1.00 0.00 C ATOM 857 CD PRO A 60 -0.230 3.195 2.822 1.00 0.00 C ATOM 0 HA PRO A 60 -3.267 2.657 2.821 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -1.993 5.408 2.705 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -2.977 4.712 3.978 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -0.310 4.768 4.329 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -1.172 3.312 4.784 1.00 0.00 H new ATOM 0 HD2 PRO A 60 0.415 3.850 2.236 1.00 0.00 H new ATOM 0 HD3 PRO A 60 0.400 2.399 3.218 1.00 0.00 H new ATOM 865 N CYS A 61 -4.550 3.940 1.097 1.00 0.00 N ATOM 866 CA CYS A 61 -5.295 4.420 -0.049 1.00 0.00 C ATOM 867 C CYS A 61 -4.946 5.884 -0.300 1.00 0.00 C ATOM 868 O CYS A 61 -4.639 6.622 0.637 1.00 0.00 O ATOM 869 CB CYS A 61 -6.794 4.228 0.177 1.00 0.00 C ATOM 870 SG CYS A 61 -7.306 2.521 0.462 1.00 0.00 S ATOM 0 H CYS A 61 -5.123 3.698 1.905 1.00 0.00 H new ATOM 0 HA CYS A 61 -5.023 3.845 -0.934 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -7.098 4.831 1.033 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -7.330 4.613 -0.691 1.00 0.00 H new ATOM 875 N ALA A 62 -4.957 6.301 -1.566 1.00 0.00 N ATOM 876 CA ALA A 62 -4.665 7.677 -1.933 1.00 0.00 C ATOM 877 C ALA A 62 -5.650 8.613 -1.217 1.00 0.00 C ATOM 878 O ALA A 62 -6.768 8.193 -0.927 1.00 0.00 O ATOM 879 CB ALA A 62 -4.725 7.818 -3.457 1.00 0.00 C ATOM 0 H ALA A 62 -5.168 5.694 -2.358 1.00 0.00 H new ATOM 0 HA ALA A 62 -3.660 7.957 -1.618 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -4.507 8.849 -3.736 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -3.990 7.155 -3.913 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -5.722 7.551 -3.808 1.00 0.00 H new ATOM 885 N PRO A 63 -5.261 9.869 -0.937 1.00 0.00 N ATOM 886 CA PRO A 63 -6.058 10.853 -0.213 1.00 0.00 C ATOM 887 C PRO A 63 -7.586 10.771 -0.358 1.00 0.00 C ATOM 888 O PRO A 63 -8.279 10.714 0.655 1.00 0.00 O ATOM 889 CB PRO A 63 -5.478 12.204 -0.626 1.00 0.00 C ATOM 890 CG PRO A 63 -3.986 11.874 -0.717 1.00 0.00 C ATOM 891 CD PRO A 63 -3.967 10.449 -1.281 1.00 0.00 C ATOM 0 HA PRO A 63 -5.974 10.658 0.856 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -5.881 12.551 -1.577 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -5.683 12.982 0.110 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -3.460 12.571 -1.370 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -3.503 11.926 0.259 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -3.817 10.458 -2.361 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -3.151 9.869 -0.850 1.00 0.00 H new ATOM 899 N ASN A 64 -8.133 10.760 -1.583 1.00 0.00 N ATOM 900 CA ASN A 64 -9.587 10.710 -1.783 1.00 0.00 C ATOM 901 C ASN A 64 -10.124 9.269 -1.861 1.00 0.00 C ATOM 902 O ASN A 64 -11.114 9.009 -2.539 1.00 0.00 O ATOM 903 CB ASN A 64 -9.997 11.562 -2.998 1.00 0.00 C ATOM 904 CG ASN A 64 -11.446 12.035 -2.915 1.00 0.00 C ATOM 905 OD1 ASN A 64 -11.717 13.159 -2.504 1.00 0.00 O ATOM 906 ND2 ASN A 64 -12.367 11.174 -3.320 1.00 0.00 N ATOM 0 H ASN A 64 -7.591 10.785 -2.447 1.00 0.00 H new ATOM 0 HA ASN A 64 -10.057 11.146 -0.902 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -9.339 12.428 -3.070 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -9.859 10.980 -3.909 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -13.353 11.434 -3.299 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -12.090 10.251 -3.653 1.00 0.00 H new ATOM 913 N LEU A 65 -9.480 8.306 -1.198 1.00 0.00 N ATOM 914 CA LEU A 65 -9.932 6.926 -1.120 1.00 0.00 C ATOM 915 C LEU A 65 -9.729 6.395 0.302 1.00 0.00 C ATOM 916 O LEU A 65 -8.962 6.962 1.078 1.00 0.00 O ATOM 917 CB LEU A 65 -9.193 6.047 -2.141 1.00 0.00 C ATOM 918 CG LEU A 65 -9.581 6.360 -3.592 1.00 0.00 C ATOM 919 CD1 LEU A 65 -8.512 7.202 -4.294 1.00 0.00 C ATOM 920 CD2 LEU A 65 -9.774 5.064 -4.380 1.00 0.00 C ATOM 0 H LEU A 65 -8.611 8.474 -0.691 1.00 0.00 H new ATOM 0 HA LEU A 65 -10.994 6.891 -1.362 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -8.118 6.184 -2.020 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -9.406 4.999 -1.932 1.00 0.00 H new ATOM 0 HG LEU A 65 -10.512 6.926 -3.560 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -8.823 7.403 -5.319 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -8.384 8.145 -3.762 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -7.567 6.658 -4.301 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -10.049 5.301 -5.408 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -8.845 4.493 -4.375 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -10.566 4.473 -3.920 1.00 0.00 H new ATOM 932 N ALA A 66 -10.431 5.312 0.648 1.00 0.00 N ATOM 933 CA ALA A 66 -10.370 4.646 1.941 1.00 0.00 C ATOM 934 C ALA A 66 -10.413 3.135 1.727 1.00 0.00 C ATOM 935 O ALA A 66 -11.012 2.661 0.762 1.00 0.00 O ATOM 936 CB ALA A 66 -11.540 5.099 2.816 1.00 0.00 C ATOM 0 H ALA A 66 -11.082 4.861 0.005 1.00 0.00 H new ATOM 0 HA ALA A 66 -9.442 4.908 2.448 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -11.488 4.597 3.782 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -11.487 6.178 2.965 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -12.480 4.846 2.326 1.00 0.00 H new ATOM 942 N CYS A 67 -9.773 2.381 2.626 1.00 0.00 N ATOM 943 CA CYS A 67 -9.705 0.927 2.556 1.00 0.00 C ATOM 944 C CYS A 67 -10.988 0.335 3.135 1.00 0.00 C ATOM 945 O CYS A 67 -11.212 0.461 4.337 1.00 0.00 O ATOM 946 CB CYS A 67 -8.478 0.438 3.333 1.00 0.00 C ATOM 947 SG CYS A 67 -8.253 -1.347 3.233 1.00 0.00 S ATOM 0 H CYS A 67 -9.283 2.773 3.431 1.00 0.00 H new ATOM 0 HA CYS A 67 -9.609 0.604 1.519 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -7.588 0.934 2.946 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -8.576 0.729 4.379 1.00 0.00 H new ATOM 952 N VAL A 68 -11.842 -0.276 2.304 1.00 0.00 N ATOM 953 CA VAL A 68 -13.139 -0.795 2.736 1.00 0.00 C ATOM 954 C VAL A 68 -13.377 -2.195 2.166 1.00 0.00 C ATOM 955 O VAL A 68 -12.795 -2.576 1.150 1.00 0.00 O ATOM 956 CB VAL A 68 -14.259 0.179 2.305 1.00 0.00 C ATOM 957 CG1 VAL A 68 -15.625 -0.197 2.898 1.00 0.00 C ATOM 958 CG2 VAL A 68 -13.958 1.626 2.724 1.00 0.00 C ATOM 0 H VAL A 68 -11.650 -0.423 1.313 1.00 0.00 H new ATOM 0 HA VAL A 68 -13.147 -0.876 3.823 1.00 0.00 H new ATOM 0 HB VAL A 68 -14.295 0.101 1.218 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -16.376 0.519 2.564 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -15.903 -1.197 2.565 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -15.566 -0.180 3.986 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -14.772 2.275 2.401 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -13.861 1.678 3.808 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -13.027 1.953 2.261 1.00 0.00 H new ATOM 968 N GLN A 69 -14.218 -2.975 2.851 1.00 0.00 N ATOM 969 CA GLN A 69 -14.640 -4.289 2.400 1.00 0.00 C ATOM 970 C GLN A 69 -15.477 -4.132 1.132 1.00 0.00 C ATOM 971 O GLN A 69 -16.451 -3.383 1.122 1.00 0.00 O ATOM 972 CB GLN A 69 -15.501 -4.963 3.481 1.00 0.00 C ATOM 973 CG GLN A 69 -14.719 -5.470 4.695 1.00 0.00 C ATOM 974 CD GLN A 69 -14.005 -6.788 4.399 1.00 0.00 C ATOM 975 OE1 GLN A 69 -14.596 -7.863 4.466 1.00 0.00 O ATOM 976 NE2 GLN A 69 -12.720 -6.709 4.086 1.00 0.00 N ATOM 0 H GLN A 69 -14.626 -2.701 3.745 1.00 0.00 H new ATOM 0 HA GLN A 69 -13.760 -4.902 2.203 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -16.255 -4.253 3.822 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -16.033 -5.802 3.032 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -13.988 -4.720 4.996 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -15.400 -5.606 5.535 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -12.261 -5.799 4.040 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -12.189 -7.558 3.891 1.00 0.00 H new ATOM 985 N THR A 70 -15.113 -4.866 0.084 1.00 0.00 N ATOM 986 CA THR A 70 -15.858 -4.917 -1.172 1.00 0.00 C ATOM 987 C THR A 70 -16.731 -6.172 -1.180 1.00 0.00 C ATOM 988 O THR A 70 -17.802 -6.204 -1.785 1.00 0.00 O ATOM 989 CB THR A 70 -14.898 -4.858 -2.364 1.00 0.00 C ATOM 990 OG1 THR A 70 -13.844 -5.798 -2.245 1.00 0.00 O ATOM 991 CG2 THR A 70 -14.326 -3.445 -2.479 1.00 0.00 C ATOM 0 H THR A 70 -14.278 -5.452 0.083 1.00 0.00 H new ATOM 0 HA THR A 70 -16.514 -4.051 -1.260 1.00 0.00 H new ATOM 0 HB THR A 70 -15.459 -5.112 -3.263 1.00 0.00 H new ATOM 0 HG1 THR A 70 -13.557 -6.083 -3.138 1.00 0.00 H new ATOM 0 HG21 THR A 70 -13.642 -3.397 -3.326 1.00 0.00 H new ATOM 0 HG22 THR A 70 -15.139 -2.734 -2.629 1.00 0.00 H new ATOM 0 HG23 THR A 70 -13.789 -3.194 -1.564 1.00 0.00 H new ATOM 999 N SER A 71 -16.271 -7.221 -0.502 1.00 0.00 N ATOM 1000 CA SER A 71 -16.989 -8.448 -0.212 1.00 0.00 C ATOM 1001 C SER A 71 -16.252 -9.028 1.004 1.00 0.00 C ATOM 1002 O SER A 71 -15.231 -8.453 1.393 1.00 0.00 O ATOM 1003 CB SER A 71 -17.020 -9.398 -1.421 1.00 0.00 C ATOM 1004 OG SER A 71 -16.997 -8.708 -2.656 1.00 0.00 O ATOM 0 H SER A 71 -15.326 -7.232 -0.118 1.00 0.00 H new ATOM 0 HA SER A 71 -18.045 -8.282 0.003 1.00 0.00 H new ATOM 0 HB2 SER A 71 -16.166 -10.073 -1.370 1.00 0.00 H new ATOM 0 HB3 SER A 71 -17.917 -10.015 -1.371 1.00 0.00 H new ATOM 0 HG SER A 71 -17.604 -9.147 -3.287 1.00 0.00 H new ATOM 1010 N PRO A 72 -16.731 -10.117 1.624 1.00 0.00 N ATOM 1011 CA PRO A 72 -16.077 -10.708 2.779 1.00 0.00 C ATOM 1012 C PRO A 72 -14.568 -10.870 2.566 1.00 0.00 C ATOM 1013 O PRO A 72 -14.142 -11.424 1.553 1.00 0.00 O ATOM 1014 CB PRO A 72 -16.781 -12.049 2.998 1.00 0.00 C ATOM 1015 CG PRO A 72 -18.196 -11.764 2.495 1.00 0.00 C ATOM 1016 CD PRO A 72 -17.946 -10.845 1.298 1.00 0.00 C ATOM 0 HA PRO A 72 -16.160 -10.069 3.658 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -16.305 -12.854 2.438 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -16.775 -12.344 4.047 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -18.714 -12.678 2.203 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -18.807 -11.280 3.257 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -17.827 -11.419 0.379 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -18.783 -10.164 1.142 1.00 0.00 H new ATOM 1024 N LYS A 73 -13.769 -10.340 3.497 1.00 0.00 N ATOM 1025 CA LYS A 73 -12.311 -10.362 3.508 1.00 0.00 C ATOM 1026 C LYS A 73 -11.723 -9.369 2.503 1.00 0.00 C ATOM 1027 O LYS A 73 -10.885 -8.556 2.890 1.00 0.00 O ATOM 1028 CB LYS A 73 -11.731 -11.775 3.325 1.00 0.00 C ATOM 1029 CG LYS A 73 -12.300 -12.770 4.345 1.00 0.00 C ATOM 1030 CD LYS A 73 -11.604 -14.130 4.191 1.00 0.00 C ATOM 1031 CE LYS A 73 -12.086 -15.143 5.237 1.00 0.00 C ATOM 1032 NZ LYS A 73 -13.518 -15.456 5.085 1.00 0.00 N ATOM 0 H LYS A 73 -14.150 -9.856 4.310 1.00 0.00 H new ATOM 0 HA LYS A 73 -12.008 -10.038 4.504 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -11.947 -12.127 2.316 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -10.646 -11.736 3.423 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -12.156 -12.390 5.356 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -13.374 -12.882 4.197 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -11.793 -14.523 3.192 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -10.526 -13.998 4.284 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -11.503 -16.060 5.149 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -11.906 -14.746 6.236 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -13.775 -16.229 5.732 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -14.084 -14.613 5.311 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -13.708 -15.747 4.105 1.00 0.00 H new ATOM 1046 N LYS A 74 -12.170 -9.404 1.246 1.00 0.00 N ATOM 1047 CA LYS A 74 -11.700 -8.540 0.168 1.00 0.00 C ATOM 1048 C LYS A 74 -11.750 -7.047 0.523 1.00 0.00 C ATOM 1049 O LYS A 74 -12.752 -6.373 0.271 1.00 0.00 O ATOM 1050 CB LYS A 74 -12.530 -8.796 -1.093 1.00 0.00 C ATOM 1051 CG LYS A 74 -12.246 -10.159 -1.733 1.00 0.00 C ATOM 1052 CD LYS A 74 -13.389 -10.560 -2.673 1.00 0.00 C ATOM 1053 CE LYS A 74 -13.705 -9.505 -3.744 1.00 0.00 C ATOM 1054 NZ LYS A 74 -14.935 -9.843 -4.482 1.00 0.00 N ATOM 0 H LYS A 74 -12.893 -10.057 0.943 1.00 0.00 H new ATOM 0 HA LYS A 74 -10.653 -8.789 -0.003 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -13.589 -8.732 -0.843 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -12.326 -8.010 -1.820 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -11.309 -10.119 -2.288 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -12.124 -10.914 -0.956 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -13.132 -11.498 -3.164 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -14.286 -10.745 -2.082 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -13.818 -8.528 -3.273 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -12.870 -9.429 -4.440 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -14.908 -9.401 -5.423 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -15.005 -10.875 -4.586 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -15.762 -9.491 -3.958 1.00 0.00 H new ATOM 1068 N PHE A 75 -10.622 -6.506 0.987 1.00 0.00 N ATOM 1069 CA PHE A 75 -10.471 -5.104 1.341 1.00 0.00 C ATOM 1070 C PHE A 75 -9.825 -4.402 0.152 1.00 0.00 C ATOM 1071 O PHE A 75 -8.727 -4.780 -0.262 1.00 0.00 O ATOM 1072 CB PHE A 75 -9.517 -4.953 2.540 1.00 0.00 C ATOM 1073 CG PHE A 75 -10.155 -4.892 3.908 1.00 0.00 C ATOM 1074 CD1 PHE A 75 -10.891 -3.751 4.277 1.00 0.00 C ATOM 1075 CD2 PHE A 75 -9.952 -5.927 4.839 1.00 0.00 C ATOM 1076 CE1 PHE A 75 -11.487 -3.677 5.546 1.00 0.00 C ATOM 1077 CE2 PHE A 75 -10.558 -5.857 6.106 1.00 0.00 C ATOM 1078 CZ PHE A 75 -11.323 -4.732 6.460 1.00 0.00 C ATOM 0 H PHE A 75 -9.770 -7.049 1.128 1.00 0.00 H new ATOM 0 HA PHE A 75 -11.444 -4.684 1.594 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -8.818 -5.789 2.527 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -8.931 -4.045 2.397 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -10.998 -2.931 3.583 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -9.332 -6.773 4.581 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -12.071 -2.810 5.819 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -10.436 -6.669 6.808 1.00 0.00 H new ATOM 0 HZ PHE A 75 -11.785 -4.678 7.435 1.00 0.00 H new ATOM 1088 N LYS A 76 -10.500 -3.384 -0.388 1.00 0.00 N ATOM 1089 CA LYS A 76 -9.991 -2.605 -1.509 1.00 0.00 C ATOM 1090 C LYS A 76 -10.173 -1.116 -1.247 1.00 0.00 C ATOM 1091 O LYS A 76 -10.972 -0.705 -0.403 1.00 0.00 O ATOM 1092 CB LYS A 76 -10.660 -2.992 -2.834 1.00 0.00 C ATOM 1093 CG LYS A 76 -10.483 -4.470 -3.190 1.00 0.00 C ATOM 1094 CD LYS A 76 -11.153 -4.733 -4.544 1.00 0.00 C ATOM 1095 CE LYS A 76 -10.630 -6.002 -5.223 1.00 0.00 C ATOM 1096 NZ LYS A 76 -9.214 -5.861 -5.609 1.00 0.00 N ATOM 0 H LYS A 76 -11.415 -3.080 -0.057 1.00 0.00 H new ATOM 0 HA LYS A 76 -8.928 -2.829 -1.600 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -11.724 -2.764 -2.776 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -10.246 -2.380 -3.635 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -9.424 -4.723 -3.237 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -10.928 -5.100 -2.420 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -12.230 -4.819 -4.402 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -10.986 -3.879 -5.200 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -10.742 -6.850 -4.548 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -11.230 -6.217 -6.107 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -9.052 -6.341 -6.517 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -8.979 -4.852 -5.703 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -8.611 -6.290 -4.879 1.00 0.00 H new ATOM 1110 N CYS A 77 -9.406 -0.310 -1.978 1.00 0.00 N ATOM 1111 CA CYS A 77 -9.451 1.137 -1.873 1.00 0.00 C ATOM 1112 C CYS A 77 -10.649 1.658 -2.658 1.00 0.00 C ATOM 1113 O CYS A 77 -10.661 1.577 -3.887 1.00 0.00 O ATOM 1114 CB CYS A 77 -8.144 1.749 -2.378 1.00 0.00 C ATOM 1115 SG CYS A 77 -6.742 1.514 -1.267 1.00 0.00 S ATOM 0 H CYS A 77 -8.732 -0.651 -2.664 1.00 0.00 H new ATOM 0 HA CYS A 77 -9.565 1.427 -0.828 1.00 0.00 H new ATOM 0 HB2 CYS A 77 -7.902 1.313 -3.348 1.00 0.00 H new ATOM 0 HB3 CYS A 77 -8.293 2.817 -2.537 1.00 0.00 H new ATOM 1120 N LEU A 78 -11.654 2.174 -1.946 1.00 0.00 N ATOM 1121 CA LEU A 78 -12.864 2.753 -2.515 1.00 0.00 C ATOM 1122 C LEU A 78 -12.864 4.260 -2.318 1.00 0.00 C ATOM 1123 O LEU A 78 -12.106 4.801 -1.519 1.00 0.00 O ATOM 1124 CB LEU A 78 -14.122 2.125 -1.899 1.00 0.00 C ATOM 1125 CG LEU A 78 -14.898 1.249 -2.893 1.00 0.00 C ATOM 1126 CD1 LEU A 78 -14.015 0.157 -3.504 1.00 0.00 C ATOM 1127 CD2 LEU A 78 -16.087 0.604 -2.173 1.00 0.00 C ATOM 0 H LEU A 78 -11.643 2.199 -0.926 1.00 0.00 H new ATOM 0 HA LEU A 78 -12.877 2.538 -3.584 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -13.837 1.522 -1.037 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -14.775 2.917 -1.532 1.00 0.00 H new ATOM 0 HG LEU A 78 -15.244 1.887 -3.706 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -14.604 -0.439 -4.201 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -13.181 0.617 -4.034 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -13.630 -0.486 -2.712 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -16.642 -0.019 -2.874 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -15.724 -0.011 -1.349 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -16.742 1.383 -1.783 1.00 0.00 H new ATOM 1139 N SER A 79 -13.730 4.908 -3.087 1.00 0.00 N ATOM 1140 CA SER A 79 -13.877 6.355 -3.181 1.00 0.00 C ATOM 1141 C SER A 79 -14.379 7.020 -1.893 1.00 0.00 C ATOM 1142 O SER A 79 -14.757 6.346 -0.935 1.00 0.00 O ATOM 1143 CB SER A 79 -14.844 6.648 -4.335 1.00 0.00 C ATOM 1144 OG SER A 79 -14.594 5.755 -5.409 1.00 0.00 O ATOM 0 H SER A 79 -14.383 4.412 -3.694 1.00 0.00 H new ATOM 0 HA SER A 79 -12.889 6.780 -3.356 1.00 0.00 H new ATOM 0 HB2 SER A 79 -15.874 6.543 -3.994 1.00 0.00 H new ATOM 0 HB3 SER A 79 -14.723 7.678 -4.671 1.00 0.00 H new ATOM 0 HG SER A 79 -15.215 5.944 -6.143 1.00 0.00 H new ATOM 1150 N LYS A 80 -14.406 8.355 -1.907 1.00 0.00 N ATOM 1151 CA LYS A 80 -14.929 9.244 -0.889 1.00 0.00 C ATOM 1152 C LYS A 80 -15.442 10.457 -1.667 1.00 0.00 C ATOM 1153 O LYS A 80 -14.904 10.664 -2.783 1.00 0.00 O ATOM 1154 CB LYS A 80 -13.832 9.682 0.089 1.00 0.00 C ATOM 1155 CG LYS A 80 -13.392 8.554 1.030 1.00 0.00 C ATOM 1156 CD LYS A 80 -12.509 9.092 2.167 1.00 0.00 C ATOM 1157 CE LYS A 80 -11.212 9.695 1.620 1.00 0.00 C ATOM 1158 NZ LYS A 80 -10.217 9.943 2.676 1.00 0.00 N ATOM 1159 OXT LYS A 80 -16.349 11.140 -1.148 1.00 0.00 O ATOM 0 H LYS A 80 -14.030 8.876 -2.699 1.00 0.00 H new ATOM 0 HA LYS A 80 -15.701 8.759 -0.292 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -12.969 10.036 -0.475 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -14.193 10.523 0.681 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -14.270 8.063 1.449 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -12.844 7.799 0.466 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -13.056 9.848 2.730 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -12.274 8.286 2.862 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -10.787 9.021 0.876 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -11.437 10.632 1.110 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -9.323 10.255 2.245 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -10.568 10.682 3.317 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -10.055 9.067 3.213 1.00 0.00 H new