USER MOD reduce.3.24.130724 H: found=0, std=0, add=554, rem=0, adj=19 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 45 SER OG : rot 82:sc= 2.07 USER MOD Set 1.2: A 58 THR OG1 : rot 106:sc= 1.09 USER MOD Single : A 12 GLN : amide:sc= 1.73 K(o=1.7,f=-7.9!) USER MOD Single : A 15 LYS NZ :NH3+ -153:sc= 0.786 (180deg=0.412) USER MOD Single : A 17 THR OG1 : rot -30:sc= 0.929 USER MOD Single : A 22 SER OG : rot 180:sc= 0.398 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 SER OG : rot 180:sc= 0.126 USER MOD Single : A 32 THR OG1 : rot -170:sc= -0.0088 USER MOD Single : A 36 THR OG1 : rot -69:sc= 1.1 USER MOD Single : A 37 SER OG : rot 180:sc= 0.0968 USER MOD Single : A 42 HIS : no HD1:sc= 0.167 K(o=0.17,f=-8!) USER MOD Single : A 46 HIS : no HD1:sc= -0.0474 X(o=-0.047,f=-0.0043) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 SER OG : rot 180:sc= 0.119 USER MOD Single : A 53 GLN : amide:sc= 1.1 K(o=1.1,f=-2.5) USER MOD Single : A 55 MET CE :methyl -136:sc= 0 (180deg=-0.0125) USER MOD Single : A 56 HIS : no HD1:sc= 0 X(o=0,f=-0.0023) USER MOD Single : A 57 HIS : no HD1:sc= -0.736 K(o=-0.74,f=-3.7!) USER MOD Single : A 64 ASN : amide:sc= 0 X(o=0,f=-0.38) USER MOD Single : A 69 GLN :FLIP amide:sc= -1.65 F(o=-2.7,f=-1.6) USER MOD Single : A 70 THR OG1 : rot -16:sc= 1.14 USER MOD Single : A 71 SER OG : rot 180:sc= -0.245 USER MOD Single : A 73 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.0223) USER MOD Single : A 74 LYS NZ :NH3+ 172:sc= 0.349 (180deg=0.256) USER MOD Single : A 76 LYS NZ :NH3+ -178:sc= 0.612 (180deg=0.609) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 80 LYS NZ :NH3+ 173:sc=-0.00759 (180deg=-0.0915) USER MOD ----------------------------------------------------------------- ATOM 61 N GLY A 5 12.796 2.557 -6.939 1.00 0.00 N ATOM 62 CA GLY A 5 12.159 1.483 -7.688 1.00 0.00 C ATOM 63 C GLY A 5 12.063 0.299 -6.732 1.00 0.00 C ATOM 64 O GLY A 5 10.978 -0.040 -6.259 1.00 0.00 O ATOM 0 HA2 GLY A 5 11.171 1.784 -8.036 1.00 0.00 H new ATOM 0 HA3 GLY A 5 12.743 1.224 -8.571 1.00 0.00 H new ATOM 68 N ALA A 6 13.222 -0.289 -6.428 1.00 0.00 N ATOM 69 CA ALA A 6 13.387 -1.266 -5.365 1.00 0.00 C ATOM 70 C ALA A 6 13.358 -0.441 -4.081 1.00 0.00 C ATOM 71 O ALA A 6 13.856 0.687 -4.075 1.00 0.00 O ATOM 72 CB ALA A 6 14.716 -2.007 -5.529 1.00 0.00 C ATOM 0 H ALA A 6 14.088 -0.090 -6.929 1.00 0.00 H new ATOM 0 HA ALA A 6 12.612 -2.033 -5.368 1.00 0.00 H new ATOM 0 HB1 ALA A 6 14.828 -2.736 -4.726 1.00 0.00 H new ATOM 0 HB2 ALA A 6 14.730 -2.521 -6.490 1.00 0.00 H new ATOM 0 HB3 ALA A 6 15.538 -1.293 -5.487 1.00 0.00 H new ATOM 78 N CYS A 7 12.738 -0.953 -3.018 1.00 0.00 N ATOM 79 CA CYS A 7 12.522 -0.159 -1.817 1.00 0.00 C ATOM 80 C CYS A 7 12.706 -0.938 -0.510 1.00 0.00 C ATOM 81 O CYS A 7 12.667 -2.162 -0.506 1.00 0.00 O ATOM 82 CB CYS A 7 11.113 0.430 -1.939 1.00 0.00 C ATOM 83 SG CYS A 7 10.651 1.458 -0.545 1.00 0.00 S ATOM 0 H CYS A 7 12.380 -1.907 -2.967 1.00 0.00 H new ATOM 0 HA CYS A 7 13.281 0.621 -1.757 1.00 0.00 H new ATOM 0 HB2 CYS A 7 11.051 1.020 -2.853 1.00 0.00 H new ATOM 0 HB3 CYS A 7 10.394 -0.383 -2.036 1.00 0.00 H new ATOM 88 N GLU A 8 12.918 -0.207 0.591 1.00 0.00 N ATOM 89 CA GLU A 8 12.946 -0.664 1.976 1.00 0.00 C ATOM 90 C GLU A 8 12.167 0.308 2.885 1.00 0.00 C ATOM 91 O GLU A 8 11.571 -0.128 3.868 1.00 0.00 O ATOM 92 CB GLU A 8 14.386 -0.856 2.471 1.00 0.00 C ATOM 93 CG GLU A 8 14.944 -2.232 2.079 1.00 0.00 C ATOM 94 CD GLU A 8 14.172 -3.390 2.717 1.00 0.00 C ATOM 95 OE1 GLU A 8 13.707 -3.214 3.867 1.00 0.00 O ATOM 96 OE2 GLU A 8 14.058 -4.436 2.044 1.00 0.00 O ATOM 0 H GLU A 8 13.087 0.797 0.526 1.00 0.00 H new ATOM 0 HA GLU A 8 12.455 -1.636 2.020 1.00 0.00 H new ATOM 0 HB2 GLU A 8 15.021 -0.074 2.055 1.00 0.00 H new ATOM 0 HB3 GLU A 8 14.415 -0.747 3.555 1.00 0.00 H new ATOM 0 HG2 GLU A 8 14.914 -2.335 0.994 1.00 0.00 H new ATOM 0 HG3 GLU A 8 15.991 -2.292 2.376 1.00 0.00 H new ATOM 103 N ARG A 9 12.157 1.613 2.576 1.00 0.00 N ATOM 104 CA ARG A 9 11.404 2.629 3.304 1.00 0.00 C ATOM 105 C ARG A 9 10.708 3.522 2.281 1.00 0.00 C ATOM 106 O ARG A 9 11.339 3.903 1.295 1.00 0.00 O ATOM 107 CB ARG A 9 12.331 3.504 4.156 1.00 0.00 C ATOM 108 CG ARG A 9 13.221 2.699 5.113 1.00 0.00 C ATOM 109 CD ARG A 9 14.595 2.402 4.498 1.00 0.00 C ATOM 110 NE ARG A 9 15.297 1.366 5.265 1.00 0.00 N ATOM 111 CZ ARG A 9 16.447 0.791 4.890 1.00 0.00 C ATOM 112 NH1 ARG A 9 17.074 1.196 3.780 1.00 0.00 N ATOM 113 NH2 ARG A 9 16.961 -0.197 5.629 1.00 0.00 N ATOM 0 H ARG A 9 12.687 1.994 1.793 1.00 0.00 H new ATOM 0 HA ARG A 9 10.690 2.135 3.963 1.00 0.00 H new ATOM 0 HB2 ARG A 9 12.964 4.099 3.497 1.00 0.00 H new ATOM 0 HB3 ARG A 9 11.728 4.203 4.735 1.00 0.00 H new ATOM 0 HG2 ARG A 9 13.351 3.254 6.042 1.00 0.00 H new ATOM 0 HG3 ARG A 9 12.726 1.762 5.368 1.00 0.00 H new ATOM 0 HD2 ARG A 9 14.473 2.076 3.465 1.00 0.00 H new ATOM 0 HD3 ARG A 9 15.193 3.313 4.476 1.00 0.00 H new ATOM 0 HE ARG A 9 14.880 1.063 6.145 1.00 0.00 H new ATOM 0 HH11 ARG A 9 16.677 1.946 3.215 1.00 0.00 H new ATOM 0 HH12 ARG A 9 17.950 0.755 3.499 1.00 0.00 H new ATOM 0 HH21 ARG A 9 16.478 -0.508 6.472 1.00 0.00 H new ATOM 0 HH22 ARG A 9 17.836 -0.640 5.350 1.00 0.00 H new ATOM 127 N ASP A 10 9.453 3.908 2.535 1.00 0.00 N ATOM 128 CA ASP A 10 8.667 4.756 1.628 1.00 0.00 C ATOM 129 C ASP A 10 9.481 5.976 1.193 1.00 0.00 C ATOM 130 O ASP A 10 9.407 6.414 0.047 1.00 0.00 O ATOM 131 CB ASP A 10 7.408 5.288 2.318 1.00 0.00 C ATOM 132 CG ASP A 10 6.289 4.300 2.594 1.00 0.00 C ATOM 133 OD1 ASP A 10 6.290 3.142 2.126 1.00 0.00 O ATOM 134 OD2 ASP A 10 5.380 4.729 3.331 1.00 0.00 O ATOM 0 H ASP A 10 8.950 3.640 3.381 1.00 0.00 H new ATOM 0 HA ASP A 10 8.400 4.136 0.772 1.00 0.00 H new ATOM 0 HB2 ASP A 10 7.707 5.731 3.268 1.00 0.00 H new ATOM 0 HB3 ASP A 10 7.003 6.092 1.704 1.00 0.00 H new ATOM 139 N LEU A 11 10.237 6.524 2.149 1.00 0.00 N ATOM 140 CA LEU A 11 11.115 7.673 2.010 1.00 0.00 C ATOM 141 C LEU A 11 11.887 7.679 0.686 1.00 0.00 C ATOM 142 O LEU A 11 12.013 8.734 0.069 1.00 0.00 O ATOM 143 CB LEU A 11 12.075 7.686 3.211 1.00 0.00 C ATOM 144 CG LEU A 11 13.022 8.897 3.260 1.00 0.00 C ATOM 145 CD1 LEU A 11 12.251 10.214 3.417 1.00 0.00 C ATOM 146 CD2 LEU A 11 13.985 8.731 4.441 1.00 0.00 C ATOM 0 H LEU A 11 10.248 6.148 3.097 1.00 0.00 H new ATOM 0 HA LEU A 11 10.507 8.577 1.995 1.00 0.00 H new ATOM 0 HB2 LEU A 11 11.488 7.663 4.129 1.00 0.00 H new ATOM 0 HB3 LEU A 11 12.672 6.775 3.192 1.00 0.00 H new ATOM 0 HG LEU A 11 13.570 8.939 2.319 1.00 0.00 H new ATOM 0 HD11 LEU A 11 12.954 11.046 3.448 1.00 0.00 H new ATOM 0 HD12 LEU A 11 11.574 10.342 2.572 1.00 0.00 H new ATOM 0 HD13 LEU A 11 11.676 10.191 4.343 1.00 0.00 H new ATOM 0 HD21 LEU A 11 14.660 9.586 4.483 1.00 0.00 H new ATOM 0 HD22 LEU A 11 13.416 8.672 5.369 1.00 0.00 H new ATOM 0 HD23 LEU A 11 14.565 7.817 4.312 1.00 0.00 H new ATOM 158 N GLN A 12 12.392 6.526 0.228 1.00 0.00 N ATOM 159 CA GLN A 12 13.187 6.479 -1.000 1.00 0.00 C ATOM 160 C GLN A 12 12.340 6.474 -2.281 1.00 0.00 C ATOM 161 O GLN A 12 12.861 6.178 -3.356 1.00 0.00 O ATOM 162 CB GLN A 12 14.180 5.312 -0.937 1.00 0.00 C ATOM 163 CG GLN A 12 13.531 3.951 -1.200 1.00 0.00 C ATOM 164 CD GLN A 12 14.344 2.846 -0.547 1.00 0.00 C ATOM 165 OE1 GLN A 12 13.980 2.340 0.512 1.00 0.00 O ATOM 166 NE2 GLN A 12 15.452 2.458 -1.163 1.00 0.00 N ATOM 0 H GLN A 12 12.265 5.623 0.686 1.00 0.00 H new ATOM 0 HA GLN A 12 13.754 7.408 -1.058 1.00 0.00 H new ATOM 0 HB2 GLN A 12 14.971 5.477 -1.668 1.00 0.00 H new ATOM 0 HB3 GLN A 12 14.652 5.298 0.045 1.00 0.00 H new ATOM 0 HG2 GLN A 12 12.514 3.944 -0.809 1.00 0.00 H new ATOM 0 HG3 GLN A 12 13.461 3.775 -2.273 1.00 0.00 H new ATOM 0 HE21 GLN A 12 15.728 2.897 -2.041 1.00 0.00 H new ATOM 0 HE22 GLN A 12 16.029 1.720 -0.759 1.00 0.00 H new ATOM 175 N CYS A 13 11.041 6.772 -2.186 1.00 0.00 N ATOM 176 CA CYS A 13 10.147 6.865 -3.335 1.00 0.00 C ATOM 177 C CYS A 13 9.227 8.068 -3.135 1.00 0.00 C ATOM 178 O CYS A 13 9.160 8.952 -3.986 1.00 0.00 O ATOM 179 CB CYS A 13 9.415 5.542 -3.554 1.00 0.00 C ATOM 180 SG CYS A 13 9.226 5.176 -5.309 1.00 0.00 S ATOM 0 H CYS A 13 10.579 6.957 -1.296 1.00 0.00 H new ATOM 0 HA CYS A 13 10.704 7.034 -4.257 1.00 0.00 H new ATOM 0 HB2 CYS A 13 9.966 4.735 -3.070 1.00 0.00 H new ATOM 0 HB3 CYS A 13 8.433 5.585 -3.082 1.00 0.00 H new ATOM 185 N GLY A 14 8.567 8.130 -1.975 1.00 0.00 N ATOM 186 CA GLY A 14 7.860 9.315 -1.512 1.00 0.00 C ATOM 187 C GLY A 14 6.366 9.414 -1.823 1.00 0.00 C ATOM 188 O GLY A 14 5.772 8.573 -2.500 1.00 0.00 O ATOM 0 H GLY A 14 8.511 7.345 -1.326 1.00 0.00 H new ATOM 0 HA2 GLY A 14 7.983 9.379 -0.431 1.00 0.00 H new ATOM 0 HA3 GLY A 14 8.351 10.188 -1.941 1.00 0.00 H new ATOM 192 N LYS A 15 5.788 10.493 -1.274 1.00 0.00 N ATOM 193 CA LYS A 15 4.402 10.918 -1.355 1.00 0.00 C ATOM 194 C LYS A 15 3.874 10.726 -2.773 1.00 0.00 C ATOM 195 O LYS A 15 4.282 11.416 -3.703 1.00 0.00 O ATOM 196 CB LYS A 15 4.280 12.389 -0.927 1.00 0.00 C ATOM 197 CG LYS A 15 4.651 12.662 0.540 1.00 0.00 C ATOM 198 CD LYS A 15 3.613 12.111 1.528 1.00 0.00 C ATOM 199 CE LYS A 15 3.975 12.537 2.955 1.00 0.00 C ATOM 200 NZ LYS A 15 2.992 12.048 3.939 1.00 0.00 N ATOM 0 H LYS A 15 6.339 11.143 -0.713 1.00 0.00 H new ATOM 0 HA LYS A 15 3.802 10.307 -0.680 1.00 0.00 H new ATOM 0 HB2 LYS A 15 4.920 12.995 -1.569 1.00 0.00 H new ATOM 0 HB3 LYS A 15 3.255 12.719 -1.096 1.00 0.00 H new ATOM 0 HG2 LYS A 15 5.622 12.216 0.754 1.00 0.00 H new ATOM 0 HG3 LYS A 15 4.754 13.737 0.690 1.00 0.00 H new ATOM 0 HD2 LYS A 15 2.620 12.480 1.270 1.00 0.00 H new ATOM 0 HD3 LYS A 15 3.576 11.024 1.462 1.00 0.00 H new ATOM 0 HE2 LYS A 15 4.964 12.155 3.208 1.00 0.00 H new ATOM 0 HE3 LYS A 15 4.031 13.624 3.007 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 2.979 12.684 4.762 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 2.048 12.025 3.504 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 3.255 11.090 4.246 1.00 0.00 H new ATOM 214 N GLY A 16 2.957 9.774 -2.899 1.00 0.00 N ATOM 215 CA GLY A 16 2.365 9.346 -4.156 1.00 0.00 C ATOM 216 C GLY A 16 2.541 7.838 -4.301 1.00 0.00 C ATOM 217 O GLY A 16 1.807 7.191 -5.049 1.00 0.00 O ATOM 0 H GLY A 16 2.593 9.261 -2.096 1.00 0.00 H new ATOM 0 HA2 GLY A 16 1.307 9.605 -4.181 1.00 0.00 H new ATOM 0 HA3 GLY A 16 2.840 9.862 -4.991 1.00 0.00 H new ATOM 221 N THR A 17 3.505 7.265 -3.574 1.00 0.00 N ATOM 222 CA THR A 17 3.775 5.845 -3.593 1.00 0.00 C ATOM 223 C THR A 17 4.092 5.352 -2.180 1.00 0.00 C ATOM 224 O THR A 17 4.265 6.161 -1.268 1.00 0.00 O ATOM 225 CB THR A 17 4.993 5.591 -4.507 1.00 0.00 C ATOM 226 OG1 THR A 17 6.143 6.212 -3.963 1.00 0.00 O ATOM 227 CG2 THR A 17 4.831 6.117 -5.937 1.00 0.00 C ATOM 0 H THR A 17 4.120 7.790 -2.952 1.00 0.00 H new ATOM 0 HA THR A 17 2.901 5.310 -3.965 1.00 0.00 H new ATOM 0 HB THR A 17 5.087 4.506 -4.556 1.00 0.00 H new ATOM 0 HG1 THR A 17 5.876 7.005 -3.453 1.00 0.00 H new ATOM 0 HG21 THR A 17 5.732 5.897 -6.510 1.00 0.00 H new ATOM 0 HG22 THR A 17 3.974 5.634 -6.407 1.00 0.00 H new ATOM 0 HG23 THR A 17 4.672 7.195 -5.912 1.00 0.00 H new ATOM 235 N CYS A 18 4.158 4.030 -2.005 1.00 0.00 N ATOM 236 CA CYS A 18 4.585 3.378 -0.780 1.00 0.00 C ATOM 237 C CYS A 18 5.446 2.160 -1.132 1.00 0.00 C ATOM 238 O CYS A 18 5.407 1.655 -2.258 1.00 0.00 O ATOM 239 CB CYS A 18 3.402 2.995 0.114 1.00 0.00 C ATOM 240 SG CYS A 18 2.898 1.268 -0.022 1.00 0.00 S ATOM 0 H CYS A 18 3.906 3.369 -2.740 1.00 0.00 H new ATOM 0 HA CYS A 18 5.182 4.083 -0.201 1.00 0.00 H new ATOM 0 HB2 CYS A 18 3.663 3.205 1.151 1.00 0.00 H new ATOM 0 HB3 CYS A 18 2.552 3.630 -0.136 1.00 0.00 H new ATOM 245 N CYS A 19 6.208 1.698 -0.143 1.00 0.00 N ATOM 246 CA CYS A 19 7.177 0.616 -0.203 1.00 0.00 C ATOM 247 C CYS A 19 6.523 -0.764 -0.076 1.00 0.00 C ATOM 248 O CYS A 19 6.689 -1.458 0.931 1.00 0.00 O ATOM 249 CB CYS A 19 8.140 0.868 0.952 1.00 0.00 C ATOM 250 SG CYS A 19 9.737 0.099 0.741 1.00 0.00 S ATOM 0 H CYS A 19 6.157 2.104 0.791 1.00 0.00 H new ATOM 0 HA CYS A 19 7.683 0.606 -1.169 1.00 0.00 H new ATOM 0 HB2 CYS A 19 8.278 1.943 1.070 1.00 0.00 H new ATOM 0 HB3 CYS A 19 7.690 0.501 1.874 1.00 0.00 H new ATOM 255 N ALA A 20 5.739 -1.155 -1.077 1.00 0.00 N ATOM 256 CA ALA A 20 4.990 -2.405 -1.050 1.00 0.00 C ATOM 257 C ALA A 20 5.896 -3.629 -1.182 1.00 0.00 C ATOM 258 O ALA A 20 6.972 -3.560 -1.771 1.00 0.00 O ATOM 259 CB ALA A 20 3.964 -2.397 -2.178 1.00 0.00 C ATOM 0 H ALA A 20 5.606 -0.612 -1.930 1.00 0.00 H new ATOM 0 HA ALA A 20 4.493 -2.476 -0.082 1.00 0.00 H new ATOM 0 HB1 ALA A 20 3.400 -3.330 -2.163 1.00 0.00 H new ATOM 0 HB2 ALA A 20 3.281 -1.558 -2.043 1.00 0.00 H new ATOM 0 HB3 ALA A 20 4.476 -2.298 -3.135 1.00 0.00 H new ATOM 265 N VAL A 21 5.458 -4.762 -0.632 1.00 0.00 N ATOM 266 CA VAL A 21 6.183 -6.022 -0.740 1.00 0.00 C ATOM 267 C VAL A 21 6.039 -6.584 -2.163 1.00 0.00 C ATOM 268 O VAL A 21 5.172 -6.131 -2.909 1.00 0.00 O ATOM 269 CB VAL A 21 5.658 -6.965 0.362 1.00 0.00 C ATOM 270 CG1 VAL A 21 6.231 -8.383 0.295 1.00 0.00 C ATOM 271 CG2 VAL A 21 6.034 -6.367 1.728 1.00 0.00 C ATOM 0 H VAL A 21 4.590 -4.829 -0.100 1.00 0.00 H new ATOM 0 HA VAL A 21 7.254 -5.892 -0.582 1.00 0.00 H new ATOM 0 HB VAL A 21 4.581 -7.048 0.216 1.00 0.00 H new ATOM 0 HG11 VAL A 21 5.813 -8.983 1.103 1.00 0.00 H new ATOM 0 HG12 VAL A 21 5.974 -8.835 -0.663 1.00 0.00 H new ATOM 0 HG13 VAL A 21 7.315 -8.342 0.397 1.00 0.00 H new ATOM 0 HG21 VAL A 21 5.672 -7.019 2.523 1.00 0.00 H new ATOM 0 HG22 VAL A 21 7.118 -6.276 1.799 1.00 0.00 H new ATOM 0 HG23 VAL A 21 5.579 -5.382 1.831 1.00 0.00 H new ATOM 281 N SER A 22 6.901 -7.528 -2.567 1.00 0.00 N ATOM 282 CA SER A 22 6.800 -8.215 -3.854 1.00 0.00 C ATOM 283 C SER A 22 5.953 -9.482 -3.716 1.00 0.00 C ATOM 284 O SER A 22 5.941 -10.140 -2.676 1.00 0.00 O ATOM 285 CB SER A 22 8.188 -8.588 -4.381 1.00 0.00 C ATOM 286 OG SER A 22 8.098 -9.413 -5.533 1.00 0.00 O ATOM 0 H SER A 22 7.693 -7.836 -2.002 1.00 0.00 H new ATOM 0 HA SER A 22 6.323 -7.536 -4.561 1.00 0.00 H new ATOM 0 HB2 SER A 22 8.743 -7.682 -4.623 1.00 0.00 H new ATOM 0 HB3 SER A 22 8.748 -9.107 -3.603 1.00 0.00 H new ATOM 0 HG SER A 22 8.999 -9.634 -5.848 1.00 0.00 H new ATOM 292 N LEU A 23 5.244 -9.832 -4.788 1.00 0.00 N ATOM 293 CA LEU A 23 4.422 -11.032 -4.873 1.00 0.00 C ATOM 294 C LEU A 23 5.273 -12.250 -5.229 1.00 0.00 C ATOM 295 O LEU A 23 4.769 -13.369 -5.193 1.00 0.00 O ATOM 296 CB LEU A 23 3.326 -10.812 -5.933 1.00 0.00 C ATOM 297 CG LEU A 23 2.177 -9.953 -5.374 1.00 0.00 C ATOM 298 CD1 LEU A 23 2.396 -8.463 -5.636 1.00 0.00 C ATOM 299 CD2 LEU A 23 0.828 -10.345 -5.973 1.00 0.00 C ATOM 0 H LEU A 23 5.227 -9.273 -5.641 1.00 0.00 H new ATOM 0 HA LEU A 23 3.962 -11.222 -3.903 1.00 0.00 H new ATOM 0 HB2 LEU A 23 3.755 -10.325 -6.808 1.00 0.00 H new ATOM 0 HB3 LEU A 23 2.937 -11.775 -6.263 1.00 0.00 H new ATOM 0 HG LEU A 23 2.170 -10.139 -4.300 1.00 0.00 H new ATOM 0 HD11 LEU A 23 1.562 -7.895 -5.225 1.00 0.00 H new ATOM 0 HD12 LEU A 23 3.323 -8.142 -5.160 1.00 0.00 H new ATOM 0 HD13 LEU A 23 2.460 -8.288 -6.710 1.00 0.00 H new ATOM 0 HD21 LEU A 23 0.046 -9.714 -5.551 1.00 0.00 H new ATOM 0 HD22 LEU A 23 0.858 -10.212 -7.054 1.00 0.00 H new ATOM 0 HD23 LEU A 23 0.617 -11.389 -5.741 1.00 0.00 H new ATOM 311 N TRP A 24 6.554 -12.047 -5.557 1.00 0.00 N ATOM 312 CA TRP A 24 7.414 -13.109 -6.061 1.00 0.00 C ATOM 313 C TRP A 24 8.292 -13.662 -4.941 1.00 0.00 C ATOM 314 O TRP A 24 8.360 -14.875 -4.759 1.00 0.00 O ATOM 315 CB TRP A 24 8.145 -12.571 -7.300 1.00 0.00 C ATOM 316 CG TRP A 24 7.254 -11.718 -8.171 1.00 0.00 C ATOM 317 CD1 TRP A 24 7.531 -10.455 -8.565 1.00 0.00 C ATOM 318 CD2 TRP A 24 5.858 -11.949 -8.555 1.00 0.00 C ATOM 319 NE1 TRP A 24 6.406 -9.871 -9.112 1.00 0.00 N ATOM 320 CE2 TRP A 24 5.334 -10.740 -9.095 1.00 0.00 C ATOM 321 CE3 TRP A 24 4.947 -13.020 -8.413 1.00 0.00 C ATOM 322 CZ2 TRP A 24 3.979 -10.600 -9.437 1.00 0.00 C ATOM 323 CZ3 TRP A 24 3.609 -12.915 -8.829 1.00 0.00 C ATOM 324 CH2 TRP A 24 3.118 -11.701 -9.328 1.00 0.00 C ATOM 0 H TRP A 24 7.017 -11.142 -5.479 1.00 0.00 H new ATOM 0 HA TRP A 24 6.853 -13.983 -6.393 1.00 0.00 H new ATOM 0 HB2 TRP A 24 9.007 -11.984 -6.983 1.00 0.00 H new ATOM 0 HB3 TRP A 24 8.526 -13.408 -7.885 1.00 0.00 H new ATOM 0 HD1 TRP A 24 8.492 -9.973 -8.466 1.00 0.00 H new ATOM 0 HE1 TRP A 24 6.372 -8.921 -9.481 1.00 0.00 H new ATOM 0 HE3 TRP A 24 5.289 -13.945 -7.972 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 3.602 -9.649 -9.782 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 2.956 -13.773 -8.764 1.00 0.00 H new ATOM 0 HH2 TRP A 24 2.084 -11.614 -9.626 1.00 0.00 H new ATOM 335 N ILE A 25 8.933 -12.787 -4.163 1.00 0.00 N ATOM 336 CA ILE A 25 9.692 -13.156 -2.992 1.00 0.00 C ATOM 337 C ILE A 25 9.549 -12.012 -1.995 1.00 0.00 C ATOM 338 O ILE A 25 9.849 -10.871 -2.340 1.00 0.00 O ATOM 339 CB ILE A 25 11.172 -13.406 -3.331 1.00 0.00 C ATOM 340 CG1 ILE A 25 11.754 -12.454 -4.392 1.00 0.00 C ATOM 341 CG2 ILE A 25 11.400 -14.878 -3.690 1.00 0.00 C ATOM 342 CD1 ILE A 25 13.232 -12.726 -4.690 1.00 0.00 C ATOM 0 H ILE A 25 8.932 -11.783 -4.344 1.00 0.00 H new ATOM 0 HA ILE A 25 9.314 -14.089 -2.575 1.00 0.00 H new ATOM 0 HB ILE A 25 11.732 -13.174 -2.425 1.00 0.00 H new ATOM 0 HG12 ILE A 25 11.179 -12.550 -5.313 1.00 0.00 H new ATOM 0 HG13 ILE A 25 11.641 -11.425 -4.051 1.00 0.00 H new ATOM 0 HG21 ILE A 25 12.452 -15.036 -3.927 1.00 0.00 H new ATOM 0 HG22 ILE A 25 11.120 -15.506 -2.844 1.00 0.00 H new ATOM 0 HG23 ILE A 25 10.790 -15.140 -4.555 1.00 0.00 H new ATOM 0 HD11 ILE A 25 13.586 -12.024 -5.445 1.00 0.00 H new ATOM 0 HD12 ILE A 25 13.816 -12.603 -3.778 1.00 0.00 H new ATOM 0 HD13 ILE A 25 13.347 -13.745 -5.060 1.00 0.00 H new ATOM 354 N LYS A 26 9.121 -12.320 -0.765 1.00 0.00 N ATOM 355 CA LYS A 26 8.979 -11.348 0.319 1.00 0.00 C ATOM 356 C LYS A 26 10.276 -10.536 0.455 1.00 0.00 C ATOM 357 O LYS A 26 10.258 -9.353 0.786 1.00 0.00 O ATOM 358 CB LYS A 26 8.625 -12.097 1.618 1.00 0.00 C ATOM 359 CG LYS A 26 7.728 -11.313 2.589 1.00 0.00 C ATOM 360 CD LYS A 26 8.353 -10.003 3.082 1.00 0.00 C ATOM 361 CE LYS A 26 7.542 -9.416 4.240 1.00 0.00 C ATOM 362 NZ LYS A 26 8.100 -8.123 4.674 1.00 0.00 N ATOM 0 H LYS A 26 8.860 -13.268 -0.493 1.00 0.00 H new ATOM 0 HA LYS A 26 8.175 -10.645 0.103 1.00 0.00 H new ATOM 0 HB2 LYS A 26 8.126 -13.031 1.358 1.00 0.00 H new ATOM 0 HB3 LYS A 26 9.549 -12.361 2.132 1.00 0.00 H new ATOM 0 HG2 LYS A 26 6.781 -11.091 2.097 1.00 0.00 H new ATOM 0 HG3 LYS A 26 7.500 -11.943 3.449 1.00 0.00 H new ATOM 0 HD2 LYS A 26 9.378 -10.183 3.405 1.00 0.00 H new ATOM 0 HD3 LYS A 26 8.398 -9.285 2.263 1.00 0.00 H new ATOM 0 HE2 LYS A 26 6.505 -9.283 3.932 1.00 0.00 H new ATOM 0 HE3 LYS A 26 7.539 -10.114 5.077 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 7.532 -7.746 5.460 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 9.082 -8.257 4.989 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 8.080 -7.452 3.880 1.00 0.00 H new ATOM 376 N SER A 27 11.409 -11.188 0.171 1.00 0.00 N ATOM 377 CA SER A 27 12.739 -10.613 0.152 1.00 0.00 C ATOM 378 C SER A 27 12.797 -9.272 -0.586 1.00 0.00 C ATOM 379 O SER A 27 13.551 -8.388 -0.186 1.00 0.00 O ATOM 380 CB SER A 27 13.641 -11.630 -0.552 1.00 0.00 C ATOM 381 OG SER A 27 13.314 -12.933 -0.100 1.00 0.00 O ATOM 0 H SER A 27 11.412 -12.181 -0.062 1.00 0.00 H new ATOM 0 HA SER A 27 13.059 -10.409 1.174 1.00 0.00 H new ATOM 0 HB2 SER A 27 13.511 -11.563 -1.632 1.00 0.00 H new ATOM 0 HB3 SER A 27 14.688 -11.412 -0.343 1.00 0.00 H new ATOM 0 HG SER A 27 13.888 -13.589 -0.549 1.00 0.00 H new ATOM 387 N VAL A 28 12.044 -9.140 -1.683 1.00 0.00 N ATOM 388 CA VAL A 28 12.022 -7.941 -2.503 1.00 0.00 C ATOM 389 C VAL A 28 10.790 -7.104 -2.155 1.00 0.00 C ATOM 390 O VAL A 28 9.696 -7.627 -1.936 1.00 0.00 O ATOM 391 CB VAL A 28 12.067 -8.335 -3.991 1.00 0.00 C ATOM 392 CG1 VAL A 28 11.933 -7.119 -4.916 1.00 0.00 C ATOM 393 CG2 VAL A 28 13.395 -9.034 -4.314 1.00 0.00 C ATOM 0 H VAL A 28 11.427 -9.877 -2.024 1.00 0.00 H new ATOM 0 HA VAL A 28 12.899 -7.326 -2.302 1.00 0.00 H new ATOM 0 HB VAL A 28 11.224 -9.004 -4.163 1.00 0.00 H new ATOM 0 HG11 VAL A 28 11.970 -7.446 -5.955 1.00 0.00 H new ATOM 0 HG12 VAL A 28 10.982 -6.621 -4.726 1.00 0.00 H new ATOM 0 HG13 VAL A 28 12.751 -6.425 -4.725 1.00 0.00 H new ATOM 0 HG21 VAL A 28 13.415 -9.308 -5.369 1.00 0.00 H new ATOM 0 HG22 VAL A 28 14.223 -8.359 -4.099 1.00 0.00 H new ATOM 0 HG23 VAL A 28 13.491 -9.932 -3.704 1.00 0.00 H new ATOM 403 N ARG A 29 10.977 -5.785 -2.117 1.00 0.00 N ATOM 404 CA ARG A 29 9.941 -4.798 -1.883 1.00 0.00 C ATOM 405 C ARG A 29 10.194 -3.695 -2.910 1.00 0.00 C ATOM 406 O ARG A 29 11.350 -3.438 -3.258 1.00 0.00 O ATOM 407 CB ARG A 29 10.004 -4.279 -0.444 1.00 0.00 C ATOM 408 CG ARG A 29 9.980 -5.398 0.609 1.00 0.00 C ATOM 409 CD ARG A 29 10.105 -4.810 2.015 1.00 0.00 C ATOM 410 NE ARG A 29 9.111 -3.753 2.269 1.00 0.00 N ATOM 411 CZ ARG A 29 9.330 -2.701 3.070 1.00 0.00 C ATOM 412 NH1 ARG A 29 10.449 -2.623 3.791 1.00 0.00 N ATOM 413 NH2 ARG A 29 8.425 -1.724 3.160 1.00 0.00 N ATOM 0 H ARG A 29 11.896 -5.365 -2.255 1.00 0.00 H new ATOM 0 HA ARG A 29 8.939 -5.211 -1.999 1.00 0.00 H new ATOM 0 HB2 ARG A 29 10.912 -3.690 -0.317 1.00 0.00 H new ATOM 0 HB3 ARG A 29 9.163 -3.608 -0.270 1.00 0.00 H new ATOM 0 HG2 ARG A 29 9.052 -5.964 0.526 1.00 0.00 H new ATOM 0 HG3 ARG A 29 10.797 -6.096 0.426 1.00 0.00 H new ATOM 0 HD2 ARG A 29 9.983 -5.605 2.751 1.00 0.00 H new ATOM 0 HD3 ARG A 29 11.107 -4.403 2.148 1.00 0.00 H new ATOM 0 HE ARG A 29 8.204 -3.826 1.809 1.00 0.00 H new ATOM 0 HH11 ARG A 29 11.145 -3.367 3.735 1.00 0.00 H new ATOM 0 HH12 ARG A 29 10.609 -1.820 4.399 1.00 0.00 H new ATOM 0 HH21 ARG A 29 7.563 -1.776 2.618 1.00 0.00 H new ATOM 0 HH22 ARG A 29 8.596 -0.925 3.771 1.00 0.00 H new ATOM 427 N VAL A 30 9.134 -3.086 -3.439 1.00 0.00 N ATOM 428 CA VAL A 30 9.207 -2.115 -4.517 1.00 0.00 C ATOM 429 C VAL A 30 8.230 -0.964 -4.288 1.00 0.00 C ATOM 430 O VAL A 30 7.309 -1.057 -3.473 1.00 0.00 O ATOM 431 CB VAL A 30 8.900 -2.813 -5.859 1.00 0.00 C ATOM 432 CG1 VAL A 30 9.997 -3.807 -6.258 1.00 0.00 C ATOM 433 CG2 VAL A 30 7.553 -3.553 -5.833 1.00 0.00 C ATOM 0 H VAL A 30 8.181 -3.261 -3.119 1.00 0.00 H new ATOM 0 HA VAL A 30 10.214 -1.699 -4.543 1.00 0.00 H new ATOM 0 HB VAL A 30 8.855 -2.013 -6.598 1.00 0.00 H new ATOM 0 HG11 VAL A 30 9.737 -4.273 -7.208 1.00 0.00 H new ATOM 0 HG12 VAL A 30 10.946 -3.280 -6.360 1.00 0.00 H new ATOM 0 HG13 VAL A 30 10.089 -4.575 -5.490 1.00 0.00 H new ATOM 0 HG21 VAL A 30 7.380 -4.028 -6.799 1.00 0.00 H new ATOM 0 HG22 VAL A 30 7.571 -4.313 -5.052 1.00 0.00 H new ATOM 0 HG23 VAL A 30 6.752 -2.843 -5.630 1.00 0.00 H new ATOM 443 N CYS A 31 8.427 0.137 -5.014 1.00 0.00 N ATOM 444 CA CYS A 31 7.491 1.246 -4.962 1.00 0.00 C ATOM 445 C CYS A 31 6.178 0.789 -5.597 1.00 0.00 C ATOM 446 O CYS A 31 6.178 0.037 -6.570 1.00 0.00 O ATOM 447 CB CYS A 31 7.986 2.458 -5.756 1.00 0.00 C ATOM 448 SG CYS A 31 9.612 3.133 -5.373 1.00 0.00 S ATOM 0 H CYS A 31 9.221 0.279 -5.638 1.00 0.00 H new ATOM 0 HA CYS A 31 7.374 1.538 -3.918 1.00 0.00 H new ATOM 0 HB2 CYS A 31 7.980 2.187 -6.812 1.00 0.00 H new ATOM 0 HB3 CYS A 31 7.257 3.258 -5.628 1.00 0.00 H new ATOM 453 N THR A 32 5.042 1.198 -5.045 1.00 0.00 N ATOM 454 CA THR A 32 3.725 0.959 -5.610 1.00 0.00 C ATOM 455 C THR A 32 2.943 2.249 -5.354 1.00 0.00 C ATOM 456 O THR A 32 3.198 2.896 -4.340 1.00 0.00 O ATOM 457 CB THR A 32 3.164 -0.305 -4.958 1.00 0.00 C ATOM 458 OG1 THR A 32 3.903 -1.410 -5.444 1.00 0.00 O ATOM 459 CG2 THR A 32 1.691 -0.566 -5.251 1.00 0.00 C ATOM 0 H THR A 32 5.014 1.719 -4.168 1.00 0.00 H new ATOM 0 HA THR A 32 3.694 0.762 -6.682 1.00 0.00 H new ATOM 0 HB THR A 32 3.251 -0.165 -3.881 1.00 0.00 H new ATOM 0 HG1 THR A 32 3.467 -2.243 -5.167 1.00 0.00 H new ATOM 0 HG21 THR A 32 1.377 -1.482 -4.750 1.00 0.00 H new ATOM 0 HG22 THR A 32 1.094 0.270 -4.887 1.00 0.00 H new ATOM 0 HG23 THR A 32 1.547 -0.674 -6.326 1.00 0.00 H new ATOM 467 N PRO A 33 2.062 2.693 -6.261 1.00 0.00 N ATOM 468 CA PRO A 33 1.350 3.946 -6.091 1.00 0.00 C ATOM 469 C PRO A 33 0.323 3.841 -4.966 1.00 0.00 C ATOM 470 O PRO A 33 -0.103 2.740 -4.617 1.00 0.00 O ATOM 471 CB PRO A 33 0.689 4.224 -7.443 1.00 0.00 C ATOM 472 CG PRO A 33 0.461 2.825 -8.017 1.00 0.00 C ATOM 473 CD PRO A 33 1.648 2.023 -7.482 1.00 0.00 C ATOM 0 HA PRO A 33 2.016 4.760 -5.805 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -0.248 4.769 -7.328 1.00 0.00 H new ATOM 0 HB3 PRO A 33 1.330 4.824 -8.089 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -0.489 2.405 -7.686 1.00 0.00 H new ATOM 0 HG3 PRO A 33 0.442 2.836 -9.107 1.00 0.00 H new ATOM 0 HD2 PRO A 33 1.364 0.990 -7.284 1.00 0.00 H new ATOM 0 HD3 PRO A 33 2.461 1.996 -8.208 1.00 0.00 H new ATOM 481 N VAL A 34 -0.064 4.981 -4.382 1.00 0.00 N ATOM 482 CA VAL A 34 -1.165 4.987 -3.419 1.00 0.00 C ATOM 483 C VAL A 34 -2.393 4.373 -4.106 1.00 0.00 C ATOM 484 O VAL A 34 -2.596 4.548 -5.308 1.00 0.00 O ATOM 485 CB VAL A 34 -1.493 6.398 -2.899 1.00 0.00 C ATOM 486 CG1 VAL A 34 -0.645 6.803 -1.691 1.00 0.00 C ATOM 487 CG2 VAL A 34 -1.338 7.455 -3.990 1.00 0.00 C ATOM 0 H VAL A 34 0.360 5.892 -4.556 1.00 0.00 H new ATOM 0 HA VAL A 34 -0.869 4.404 -2.546 1.00 0.00 H new ATOM 0 HB VAL A 34 -2.535 6.350 -2.583 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -0.923 7.807 -1.371 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -0.817 6.102 -0.874 1.00 0.00 H new ATOM 0 HG13 VAL A 34 0.410 6.789 -1.966 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -1.579 8.437 -3.582 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -0.310 7.455 -4.353 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -2.014 7.229 -4.814 1.00 0.00 H new ATOM 497 N GLY A 35 -3.212 3.650 -3.346 1.00 0.00 N ATOM 498 CA GLY A 35 -4.372 2.964 -3.886 1.00 0.00 C ATOM 499 C GLY A 35 -5.368 3.958 -4.484 1.00 0.00 C ATOM 500 O GLY A 35 -5.804 4.881 -3.796 1.00 0.00 O ATOM 0 H GLY A 35 -3.086 3.526 -2.341 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -4.056 2.255 -4.652 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -4.857 2.387 -3.098 1.00 0.00 H new ATOM 504 N THR A 36 -5.723 3.782 -5.758 1.00 0.00 N ATOM 505 CA THR A 36 -6.683 4.630 -6.454 1.00 0.00 C ATOM 506 C THR A 36 -8.049 3.937 -6.481 1.00 0.00 C ATOM 507 O THR A 36 -8.157 2.752 -6.164 1.00 0.00 O ATOM 508 CB THR A 36 -6.172 4.980 -7.861 1.00 0.00 C ATOM 509 OG1 THR A 36 -5.931 3.818 -8.623 1.00 0.00 O ATOM 510 CG2 THR A 36 -4.880 5.800 -7.796 1.00 0.00 C ATOM 0 H THR A 36 -5.345 3.035 -6.340 1.00 0.00 H new ATOM 0 HA THR A 36 -6.799 5.574 -5.921 1.00 0.00 H new ATOM 0 HB THR A 36 -6.953 5.571 -8.339 1.00 0.00 H new ATOM 0 HG1 THR A 36 -5.163 3.336 -8.251 1.00 0.00 H new ATOM 0 HG21 THR A 36 -4.545 6.031 -8.807 1.00 0.00 H new ATOM 0 HG22 THR A 36 -5.065 6.727 -7.254 1.00 0.00 H new ATOM 0 HG23 THR A 36 -4.110 5.226 -7.281 1.00 0.00 H new ATOM 518 N SER A 37 -9.095 4.689 -6.831 1.00 0.00 N ATOM 519 CA SER A 37 -10.483 4.266 -6.891 1.00 0.00 C ATOM 520 C SER A 37 -10.669 2.844 -7.434 1.00 0.00 C ATOM 521 O SER A 37 -10.493 2.613 -8.628 1.00 0.00 O ATOM 522 CB SER A 37 -11.222 5.287 -7.760 1.00 0.00 C ATOM 523 OG SER A 37 -10.761 6.589 -7.429 1.00 0.00 O ATOM 0 H SER A 37 -8.981 5.668 -7.095 1.00 0.00 H new ATOM 0 HA SER A 37 -10.887 4.231 -5.879 1.00 0.00 H new ATOM 0 HB2 SER A 37 -11.046 5.081 -8.816 1.00 0.00 H new ATOM 0 HB3 SER A 37 -12.297 5.214 -7.596 1.00 0.00 H new ATOM 0 HG SER A 37 -11.227 7.251 -7.981 1.00 0.00 H new ATOM 529 N GLY A 38 -11.037 1.901 -6.562 1.00 0.00 N ATOM 530 CA GLY A 38 -11.316 0.521 -6.929 1.00 0.00 C ATOM 531 C GLY A 38 -10.156 -0.437 -6.660 1.00 0.00 C ATOM 532 O GLY A 38 -10.387 -1.640 -6.559 1.00 0.00 O ATOM 0 H GLY A 38 -11.150 2.085 -5.565 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -12.192 0.179 -6.378 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -11.569 0.481 -7.988 1.00 0.00 H new ATOM 536 N GLU A 39 -8.916 0.051 -6.548 1.00 0.00 N ATOM 537 CA GLU A 39 -7.787 -0.834 -6.293 1.00 0.00 C ATOM 538 C GLU A 39 -7.913 -1.482 -4.914 1.00 0.00 C ATOM 539 O GLU A 39 -8.449 -0.878 -3.983 1.00 0.00 O ATOM 540 CB GLU A 39 -6.456 -0.084 -6.411 1.00 0.00 C ATOM 541 CG GLU A 39 -6.206 0.399 -7.845 1.00 0.00 C ATOM 542 CD GLU A 39 -4.769 0.878 -8.015 1.00 0.00 C ATOM 543 OE1 GLU A 39 -4.447 1.924 -7.408 1.00 0.00 O ATOM 544 OE2 GLU A 39 -4.016 0.191 -8.738 1.00 0.00 O ATOM 0 H GLU A 39 -8.676 1.039 -6.629 1.00 0.00 H new ATOM 0 HA GLU A 39 -7.800 -1.618 -7.050 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -6.458 0.770 -5.734 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -5.641 -0.737 -6.099 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -6.409 -0.410 -8.546 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -6.894 1.209 -8.085 1.00 0.00 H new ATOM 551 N ASP A 40 -7.416 -2.716 -4.792 1.00 0.00 N ATOM 552 CA ASP A 40 -7.427 -3.455 -3.540 1.00 0.00 C ATOM 553 C ASP A 40 -6.534 -2.768 -2.511 1.00 0.00 C ATOM 554 O ASP A 40 -5.578 -2.079 -2.865 1.00 0.00 O ATOM 555 CB ASP A 40 -6.988 -4.905 -3.767 1.00 0.00 C ATOM 556 CG ASP A 40 -8.041 -5.685 -4.544 1.00 0.00 C ATOM 557 OD1 ASP A 40 -8.934 -6.254 -3.880 1.00 0.00 O ATOM 558 OD2 ASP A 40 -7.945 -5.680 -5.790 1.00 0.00 O ATOM 0 H ASP A 40 -6.994 -3.228 -5.567 1.00 0.00 H new ATOM 0 HA ASP A 40 -8.446 -3.469 -3.152 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -6.044 -4.921 -4.312 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -6.809 -5.388 -2.806 1.00 0.00 H new ATOM 563 N CYS A 41 -6.845 -2.970 -1.232 1.00 0.00 N ATOM 564 CA CYS A 41 -6.119 -2.399 -0.111 1.00 0.00 C ATOM 565 C CYS A 41 -6.239 -3.332 1.084 1.00 0.00 C ATOM 566 O CYS A 41 -6.964 -4.325 1.039 1.00 0.00 O ATOM 567 CB CYS A 41 -6.681 -1.017 0.234 1.00 0.00 C ATOM 568 SG CYS A 41 -8.397 -1.055 0.793 1.00 0.00 S ATOM 0 H CYS A 41 -7.632 -3.552 -0.944 1.00 0.00 H new ATOM 0 HA CYS A 41 -5.068 -2.283 -0.377 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -6.064 -0.567 1.012 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -6.607 -0.374 -0.643 1.00 0.00 H new ATOM 573 N HIS A 42 -5.514 -3.001 2.151 1.00 0.00 N ATOM 574 CA HIS A 42 -5.497 -3.726 3.406 1.00 0.00 C ATOM 575 C HIS A 42 -5.638 -2.652 4.483 1.00 0.00 C ATOM 576 O HIS A 42 -4.917 -1.654 4.403 1.00 0.00 O ATOM 577 CB HIS A 42 -4.172 -4.491 3.534 1.00 0.00 C ATOM 578 CG HIS A 42 -4.111 -5.388 4.739 1.00 0.00 C ATOM 579 ND1 HIS A 42 -4.276 -4.890 6.032 1.00 0.00 N ATOM 580 CD2 HIS A 42 -3.938 -6.744 4.804 1.00 0.00 C ATOM 581 CE1 HIS A 42 -4.207 -5.967 6.821 1.00 0.00 C ATOM 582 NE2 HIS A 42 -4.009 -7.103 6.134 1.00 0.00 N ATOM 0 H HIS A 42 -4.900 -2.187 2.158 1.00 0.00 H new ATOM 0 HA HIS A 42 -6.293 -4.466 3.487 1.00 0.00 H new ATOM 0 HB2 HIS A 42 -4.020 -5.091 2.637 1.00 0.00 H new ATOM 0 HB3 HIS A 42 -3.351 -3.775 3.582 1.00 0.00 H new ATOM 0 HD2 HIS A 42 -3.776 -7.410 3.969 1.00 0.00 H new ATOM 0 HE1 HIS A 42 -4.301 -5.927 7.896 1.00 0.00 H new ATOM 0 HE2 HIS A 42 -3.927 -8.044 6.519 1.00 0.00 H new ATOM 590 N PRO A 43 -6.537 -2.805 5.468 1.00 0.00 N ATOM 591 CA PRO A 43 -6.759 -1.793 6.490 1.00 0.00 C ATOM 592 C PRO A 43 -5.496 -1.443 7.285 1.00 0.00 C ATOM 593 O PRO A 43 -5.458 -0.381 7.901 1.00 0.00 O ATOM 594 CB PRO A 43 -7.872 -2.344 7.388 1.00 0.00 C ATOM 595 CG PRO A 43 -7.778 -3.855 7.185 1.00 0.00 C ATOM 596 CD PRO A 43 -7.378 -3.965 5.716 1.00 0.00 C ATOM 0 HA PRO A 43 -7.045 -0.847 6.030 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -7.719 -2.069 8.432 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -8.850 -1.960 7.097 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -7.036 -4.308 7.843 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -8.727 -4.352 7.386 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -6.839 -4.892 5.522 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -8.254 -3.964 5.067 1.00 0.00 H new ATOM 604 N ALA A 44 -4.451 -2.280 7.249 1.00 0.00 N ATOM 605 CA ALA A 44 -3.208 -2.016 7.961 1.00 0.00 C ATOM 606 C ALA A 44 -2.149 -1.412 7.031 1.00 0.00 C ATOM 607 O ALA A 44 -0.970 -1.400 7.383 1.00 0.00 O ATOM 608 CB ALA A 44 -2.704 -3.310 8.605 1.00 0.00 C ATOM 0 H ALA A 44 -4.450 -3.155 6.725 1.00 0.00 H new ATOM 0 HA ALA A 44 -3.401 -1.282 8.743 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -1.774 -3.113 9.138 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -3.451 -3.683 9.305 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -2.527 -4.057 7.831 1.00 0.00 H new ATOM 614 N SER A 45 -2.542 -0.885 5.862 1.00 0.00 N ATOM 615 CA SER A 45 -1.638 -0.183 4.967 1.00 0.00 C ATOM 616 C SER A 45 -1.277 1.167 5.599 1.00 0.00 C ATOM 617 O SER A 45 -1.772 2.204 5.166 1.00 0.00 O ATOM 618 CB SER A 45 -2.321 0.016 3.611 1.00 0.00 C ATOM 619 OG SER A 45 -2.603 -1.230 3.000 1.00 0.00 O ATOM 0 H SER A 45 -3.501 -0.939 5.518 1.00 0.00 H new ATOM 0 HA SER A 45 -0.726 -0.760 4.811 1.00 0.00 H new ATOM 0 HB2 SER A 45 -3.245 0.578 3.744 1.00 0.00 H new ATOM 0 HB3 SER A 45 -1.679 0.608 2.959 1.00 0.00 H new ATOM 0 HG SER A 45 -3.435 -1.594 3.368 1.00 0.00 H new ATOM 625 N HIS A 46 -0.412 1.143 6.618 1.00 0.00 N ATOM 626 CA HIS A 46 0.009 2.304 7.395 1.00 0.00 C ATOM 627 C HIS A 46 0.391 3.493 6.517 1.00 0.00 C ATOM 628 O HIS A 46 0.921 3.314 5.422 1.00 0.00 O ATOM 629 CB HIS A 46 1.210 1.933 8.266 1.00 0.00 C ATOM 630 CG HIS A 46 1.466 2.909 9.382 1.00 0.00 C ATOM 631 ND1 HIS A 46 0.897 2.743 10.642 1.00 0.00 N ATOM 632 CD2 HIS A 46 2.222 4.049 9.385 1.00 0.00 C ATOM 633 CE1 HIS A 46 1.353 3.772 11.362 1.00 0.00 C ATOM 634 NE2 HIS A 46 2.148 4.588 10.652 1.00 0.00 N ATOM 0 H HIS A 46 0.029 0.279 6.933 1.00 0.00 H new ATOM 0 HA HIS A 46 -0.842 2.600 8.008 1.00 0.00 H new ATOM 0 HB2 HIS A 46 1.049 0.942 8.690 1.00 0.00 H new ATOM 0 HB3 HIS A 46 2.099 1.870 7.638 1.00 0.00 H new ATOM 0 HD2 HIS A 46 2.775 4.452 8.549 1.00 0.00 H new ATOM 0 HE1 HIS A 46 1.109 3.930 12.402 1.00 0.00 H new ATOM 0 HE2 HIS A 46 2.606 5.437 10.984 1.00 0.00 H new ATOM 642 N LYS A 47 0.164 4.701 7.025 1.00 0.00 N ATOM 643 CA LYS A 47 0.478 5.962 6.392 1.00 0.00 C ATOM 644 C LYS A 47 1.886 6.057 5.823 1.00 0.00 C ATOM 645 O LYS A 47 2.782 5.281 6.146 1.00 0.00 O ATOM 646 CB LYS A 47 0.249 7.081 7.421 1.00 0.00 C ATOM 647 CG LYS A 47 -1.191 7.120 7.951 1.00 0.00 C ATOM 648 CD LYS A 47 -2.144 7.297 6.771 1.00 0.00 C ATOM 649 CE LYS A 47 -3.594 7.463 7.237 1.00 0.00 C ATOM 650 NZ LYS A 47 -4.497 7.703 6.098 1.00 0.00 N ATOM 0 H LYS A 47 -0.268 4.824 7.941 1.00 0.00 H new ATOM 0 HA LYS A 47 -0.180 6.059 5.529 1.00 0.00 H new ATOM 0 HB2 LYS A 47 0.935 6.945 8.257 1.00 0.00 H new ATOM 0 HB3 LYS A 47 0.489 8.042 6.965 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -1.421 6.199 8.487 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -1.311 7.940 8.659 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -1.846 8.169 6.190 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -2.070 6.433 6.110 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -3.911 6.568 7.773 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -3.660 8.295 7.938 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -5.472 7.811 6.444 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -4.207 8.570 5.602 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -4.450 6.897 5.442 1.00 0.00 H new ATOM 664 N ILE A 48 2.028 7.027 4.928 1.00 0.00 N ATOM 665 CA ILE A 48 3.282 7.381 4.271 1.00 0.00 C ATOM 666 C ILE A 48 3.832 8.611 5.007 1.00 0.00 C ATOM 667 O ILE A 48 3.040 9.509 5.299 1.00 0.00 O ATOM 668 CB ILE A 48 3.007 7.683 2.781 1.00 0.00 C ATOM 669 CG1 ILE A 48 2.492 6.426 2.054 1.00 0.00 C ATOM 670 CG2 ILE A 48 4.252 8.207 2.046 1.00 0.00 C ATOM 671 CD1 ILE A 48 1.742 6.777 0.765 1.00 0.00 C ATOM 0 H ILE A 48 1.246 7.610 4.629 1.00 0.00 H new ATOM 0 HA ILE A 48 4.011 6.572 4.308 1.00 0.00 H new ATOM 0 HB ILE A 48 2.246 8.464 2.764 1.00 0.00 H new ATOM 0 HG12 ILE A 48 3.333 5.773 1.818 1.00 0.00 H new ATOM 0 HG13 ILE A 48 1.831 5.868 2.718 1.00 0.00 H new ATOM 0 HG21 ILE A 48 4.003 8.403 1.003 1.00 0.00 H new ATOM 0 HG22 ILE A 48 4.592 9.129 2.518 1.00 0.00 H new ATOM 0 HG23 ILE A 48 5.045 7.461 2.096 1.00 0.00 H new ATOM 0 HD11 ILE A 48 1.396 5.862 0.284 1.00 0.00 H new ATOM 0 HD12 ILE A 48 0.886 7.408 1.003 1.00 0.00 H new ATOM 0 HD13 ILE A 48 2.410 7.311 0.089 1.00 0.00 H new ATOM 683 N PRO A 49 5.142 8.720 5.292 1.00 0.00 N ATOM 684 CA PRO A 49 6.209 7.793 4.944 1.00 0.00 C ATOM 685 C PRO A 49 6.449 6.764 6.056 1.00 0.00 C ATOM 686 O PRO A 49 6.727 7.131 7.196 1.00 0.00 O ATOM 687 CB PRO A 49 7.441 8.685 4.761 1.00 0.00 C ATOM 688 CG PRO A 49 7.225 9.799 5.787 1.00 0.00 C ATOM 689 CD PRO A 49 5.702 9.947 5.842 1.00 0.00 C ATOM 0 HA PRO A 49 5.969 7.214 4.052 1.00 0.00 H new ATOM 0 HB2 PRO A 49 8.365 8.138 4.949 1.00 0.00 H new ATOM 0 HB3 PRO A 49 7.505 9.079 3.747 1.00 0.00 H new ATOM 0 HG2 PRO A 49 7.637 9.533 6.760 1.00 0.00 H new ATOM 0 HG3 PRO A 49 7.707 10.727 5.479 1.00 0.00 H new ATOM 0 HD2 PRO A 49 5.365 10.101 6.867 1.00 0.00 H new ATOM 0 HD3 PRO A 49 5.376 10.813 5.266 1.00 0.00 H new ATOM 697 N PHE A 50 6.370 5.475 5.723 1.00 0.00 N ATOM 698 CA PHE A 50 6.639 4.374 6.633 1.00 0.00 C ATOM 699 C PHE A 50 8.051 3.845 6.386 1.00 0.00 C ATOM 700 O PHE A 50 8.440 3.575 5.247 1.00 0.00 O ATOM 701 CB PHE A 50 5.610 3.260 6.427 1.00 0.00 C ATOM 702 CG PHE A 50 5.622 2.182 7.493 1.00 0.00 C ATOM 703 CD1 PHE A 50 5.208 2.496 8.801 1.00 0.00 C ATOM 704 CD2 PHE A 50 5.919 0.849 7.159 1.00 0.00 C ATOM 705 CE1 PHE A 50 5.028 1.477 9.751 1.00 0.00 C ATOM 706 CE2 PHE A 50 5.714 -0.175 8.101 1.00 0.00 C ATOM 707 CZ PHE A 50 5.272 0.139 9.397 1.00 0.00 C ATOM 0 H PHE A 50 6.110 5.166 4.787 1.00 0.00 H new ATOM 0 HA PHE A 50 6.565 4.727 7.662 1.00 0.00 H new ATOM 0 HB2 PHE A 50 4.616 3.705 6.390 1.00 0.00 H new ATOM 0 HB3 PHE A 50 5.787 2.795 5.457 1.00 0.00 H new ATOM 0 HD1 PHE A 50 5.028 3.525 9.076 1.00 0.00 H new ATOM 0 HD2 PHE A 50 6.305 0.611 6.179 1.00 0.00 H new ATOM 0 HE1 PHE A 50 4.703 1.721 10.751 1.00 0.00 H new ATOM 0 HE2 PHE A 50 5.897 -1.204 7.828 1.00 0.00 H new ATOM 0 HZ PHE A 50 5.120 -0.648 10.121 1.00 0.00 H new ATOM 717 N SER A 51 8.820 3.706 7.466 1.00 0.00 N ATOM 718 CA SER A 51 10.184 3.213 7.465 1.00 0.00 C ATOM 719 C SER A 51 10.271 1.704 7.716 1.00 0.00 C ATOM 720 O SER A 51 11.354 1.137 7.583 1.00 0.00 O ATOM 721 CB SER A 51 10.930 3.983 8.559 1.00 0.00 C ATOM 722 OG SER A 51 10.083 4.113 9.690 1.00 0.00 O ATOM 0 H SER A 51 8.489 3.946 8.401 1.00 0.00 H new ATOM 0 HA SER A 51 10.628 3.372 6.482 1.00 0.00 H new ATOM 0 HB2 SER A 51 11.845 3.458 8.832 1.00 0.00 H new ATOM 0 HB3 SER A 51 11.224 4.967 8.193 1.00 0.00 H new ATOM 0 HG SER A 51 10.553 4.603 10.396 1.00 0.00 H new ATOM 728 N GLY A 52 9.169 1.055 8.105 1.00 0.00 N ATOM 729 CA GLY A 52 9.166 -0.358 8.441 1.00 0.00 C ATOM 730 C GLY A 52 8.829 -1.257 7.254 1.00 0.00 C ATOM 731 O GLY A 52 8.600 -0.807 6.128 1.00 0.00 O ATOM 0 H GLY A 52 8.257 1.502 8.193 1.00 0.00 H new ATOM 0 HA2 GLY A 52 10.146 -0.634 8.831 1.00 0.00 H new ATOM 0 HA3 GLY A 52 8.444 -0.534 9.238 1.00 0.00 H new ATOM 735 N GLN A 53 8.769 -2.558 7.543 1.00 0.00 N ATOM 736 CA GLN A 53 8.411 -3.582 6.583 1.00 0.00 C ATOM 737 C GLN A 53 6.888 -3.560 6.467 1.00 0.00 C ATOM 738 O GLN A 53 6.198 -3.917 7.416 1.00 0.00 O ATOM 739 CB GLN A 53 8.938 -4.946 7.056 1.00 0.00 C ATOM 740 CG GLN A 53 10.454 -4.950 7.327 1.00 0.00 C ATOM 741 CD GLN A 53 11.285 -4.600 6.094 1.00 0.00 C ATOM 742 OE1 GLN A 53 11.041 -5.115 5.008 1.00 0.00 O ATOM 743 NE2 GLN A 53 12.270 -3.717 6.231 1.00 0.00 N ATOM 0 H GLN A 53 8.973 -2.928 8.471 1.00 0.00 H new ATOM 0 HA GLN A 53 8.856 -3.400 5.605 1.00 0.00 H new ATOM 0 HB2 GLN A 53 8.412 -5.236 7.966 1.00 0.00 H new ATOM 0 HB3 GLN A 53 8.708 -5.698 6.302 1.00 0.00 H new ATOM 0 HG2 GLN A 53 10.677 -4.238 8.122 1.00 0.00 H new ATOM 0 HG3 GLN A 53 10.750 -5.935 7.689 1.00 0.00 H new ATOM 0 HE21 GLN A 53 12.458 -3.300 7.143 1.00 0.00 H new ATOM 0 HE22 GLN A 53 12.838 -3.457 5.425 1.00 0.00 H new ATOM 752 N ARG A 54 6.355 -3.106 5.328 1.00 0.00 N ATOM 753 CA ARG A 54 4.912 -2.983 5.136 1.00 0.00 C ATOM 754 C ARG A 54 4.178 -4.325 5.191 1.00 0.00 C ATOM 755 O ARG A 54 2.976 -4.343 5.441 1.00 0.00 O ATOM 756 CB ARG A 54 4.599 -2.220 3.840 1.00 0.00 C ATOM 757 CG ARG A 54 4.893 -0.726 4.028 1.00 0.00 C ATOM 758 CD ARG A 54 4.409 0.108 2.836 1.00 0.00 C ATOM 759 NE ARG A 54 4.318 1.538 3.168 1.00 0.00 N ATOM 760 CZ ARG A 54 3.297 2.083 3.846 1.00 0.00 C ATOM 761 NH1 ARG A 54 2.304 1.308 4.287 1.00 0.00 N ATOM 762 NH2 ARG A 54 3.260 3.388 4.097 1.00 0.00 N ATOM 0 H ARG A 54 6.909 -2.817 4.522 1.00 0.00 H new ATOM 0 HA ARG A 54 4.533 -2.405 5.978 1.00 0.00 H new ATOM 0 HB2 ARG A 54 5.198 -2.617 3.021 1.00 0.00 H new ATOM 0 HB3 ARG A 54 3.553 -2.362 3.568 1.00 0.00 H new ATOM 0 HG2 ARG A 54 4.409 -0.373 4.938 1.00 0.00 H new ATOM 0 HG3 ARG A 54 5.965 -0.581 4.161 1.00 0.00 H new ATOM 0 HD2 ARG A 54 5.092 -0.027 1.997 1.00 0.00 H new ATOM 0 HD3 ARG A 54 3.432 -0.253 2.513 1.00 0.00 H new ATOM 0 HE ARG A 54 5.075 2.151 2.865 1.00 0.00 H new ATOM 0 HH11 ARG A 54 2.323 0.304 4.108 1.00 0.00 H new ATOM 0 HH12 ARG A 54 1.526 1.720 4.803 1.00 0.00 H new ATOM 0 HH21 ARG A 54 4.016 3.991 3.773 1.00 0.00 H new ATOM 0 HH22 ARG A 54 2.476 3.786 4.614 1.00 0.00 H new ATOM 776 N MET A 55 4.866 -5.437 4.913 1.00 0.00 N ATOM 777 CA MET A 55 4.387 -6.811 4.940 1.00 0.00 C ATOM 778 C MET A 55 3.479 -7.145 3.755 1.00 0.00 C ATOM 779 O MET A 55 3.582 -8.226 3.178 1.00 0.00 O ATOM 780 CB MET A 55 3.716 -7.166 6.269 1.00 0.00 C ATOM 781 CG MET A 55 4.479 -6.688 7.511 1.00 0.00 C ATOM 782 SD MET A 55 3.931 -7.412 9.079 1.00 0.00 S ATOM 783 CE MET A 55 4.673 -9.055 8.959 1.00 0.00 C ATOM 0 H MET A 55 5.848 -5.389 4.643 1.00 0.00 H new ATOM 0 HA MET A 55 5.275 -7.435 4.845 1.00 0.00 H new ATOM 0 HB2 MET A 55 2.715 -6.734 6.284 1.00 0.00 H new ATOM 0 HB3 MET A 55 3.597 -8.248 6.325 1.00 0.00 H new ATOM 0 HG2 MET A 55 5.537 -6.912 7.376 1.00 0.00 H new ATOM 0 HG3 MET A 55 4.388 -5.604 7.578 1.00 0.00 H new ATOM 0 HE1 MET A 55 3.949 -9.805 9.276 1.00 0.00 H new ATOM 0 HE2 MET A 55 4.967 -9.247 7.927 1.00 0.00 H new ATOM 0 HE3 MET A 55 5.552 -9.105 9.602 1.00 0.00 H new ATOM 793 N HIS A 56 2.608 -6.209 3.393 1.00 0.00 N ATOM 794 CA HIS A 56 1.625 -6.357 2.335 1.00 0.00 C ATOM 795 C HIS A 56 2.103 -5.731 1.026 1.00 0.00 C ATOM 796 O HIS A 56 3.032 -4.922 0.981 1.00 0.00 O ATOM 797 CB HIS A 56 0.296 -5.734 2.787 1.00 0.00 C ATOM 798 CG HIS A 56 -0.170 -6.239 4.128 1.00 0.00 C ATOM 799 ND1 HIS A 56 -0.528 -5.365 5.152 1.00 0.00 N ATOM 800 CD2 HIS A 56 -0.232 -7.523 4.599 1.00 0.00 C ATOM 801 CE1 HIS A 56 -0.752 -6.149 6.208 1.00 0.00 C ATOM 802 NE2 HIS A 56 -0.591 -7.452 5.929 1.00 0.00 N ATOM 0 H HIS A 56 2.569 -5.296 3.846 1.00 0.00 H new ATOM 0 HA HIS A 56 1.481 -7.420 2.142 1.00 0.00 H new ATOM 0 HB2 HIS A 56 0.407 -4.651 2.832 1.00 0.00 H new ATOM 0 HB3 HIS A 56 -0.469 -5.945 2.040 1.00 0.00 H new ATOM 0 HD2 HIS A 56 -0.036 -8.423 4.035 1.00 0.00 H new ATOM 0 HE1 HIS A 56 -1.032 -5.776 7.182 1.00 0.00 H new ATOM 0 HE2 HIS A 56 -0.710 -8.234 6.573 1.00 0.00 H new ATOM 810 N HIS A 57 1.431 -6.117 -0.057 1.00 0.00 N ATOM 811 CA HIS A 57 1.660 -5.619 -1.406 1.00 0.00 C ATOM 812 C HIS A 57 0.870 -4.334 -1.652 1.00 0.00 C ATOM 813 O HIS A 57 0.883 -3.799 -2.758 1.00 0.00 O ATOM 814 CB HIS A 57 1.187 -6.680 -2.398 1.00 0.00 C ATOM 815 CG HIS A 57 1.850 -7.988 -2.108 1.00 0.00 C ATOM 816 ND1 HIS A 57 1.323 -8.868 -1.170 1.00 0.00 N ATOM 817 CD2 HIS A 57 3.083 -8.426 -2.489 1.00 0.00 C ATOM 818 CE1 HIS A 57 2.269 -9.797 -1.034 1.00 0.00 C ATOM 819 NE2 HIS A 57 3.350 -9.579 -1.794 1.00 0.00 N ATOM 0 H HIS A 57 0.685 -6.811 -0.014 1.00 0.00 H new ATOM 0 HA HIS A 57 2.722 -5.408 -1.531 1.00 0.00 H new ATOM 0 HB2 HIS A 57 0.104 -6.791 -2.335 1.00 0.00 H new ATOM 0 HB3 HIS A 57 1.417 -6.365 -3.416 1.00 0.00 H new ATOM 0 HD2 HIS A 57 3.733 -7.951 -3.209 1.00 0.00 H new ATOM 0 HE1 HIS A 57 2.173 -10.646 -0.373 1.00 0.00 H new ATOM 0 HE2 HIS A 57 4.194 -10.150 -1.845 1.00 0.00 H new ATOM 827 N THR A 58 0.146 -3.861 -0.637 1.00 0.00 N ATOM 828 CA THR A 58 -0.772 -2.755 -0.747 1.00 0.00 C ATOM 829 C THR A 58 -0.144 -1.463 -0.239 1.00 0.00 C ATOM 830 O THR A 58 0.855 -1.470 0.480 1.00 0.00 O ATOM 831 CB THR A 58 -2.036 -3.134 0.036 1.00 0.00 C ATOM 832 OG1 THR A 58 -1.734 -3.351 1.400 1.00 0.00 O ATOM 833 CG2 THR A 58 -2.635 -4.442 -0.505 1.00 0.00 C ATOM 0 H THR A 58 0.192 -4.255 0.303 1.00 0.00 H new ATOM 0 HA THR A 58 -1.027 -2.566 -1.790 1.00 0.00 H new ATOM 0 HB THR A 58 -2.741 -2.310 -0.076 1.00 0.00 H new ATOM 0 HG1 THR A 58 -2.064 -2.597 1.932 1.00 0.00 H new ATOM 0 HG21 THR A 58 -3.531 -4.694 0.063 1.00 0.00 H new ATOM 0 HG22 THR A 58 -2.895 -4.316 -1.556 1.00 0.00 H new ATOM 0 HG23 THR A 58 -1.905 -5.245 -0.406 1.00 0.00 H new ATOM 841 N CYS A 59 -0.756 -0.346 -0.628 1.00 0.00 N ATOM 842 CA CYS A 59 -0.379 0.997 -0.238 1.00 0.00 C ATOM 843 C CYS A 59 -1.652 1.680 0.233 1.00 0.00 C ATOM 844 O CYS A 59 -2.738 1.247 -0.158 1.00 0.00 O ATOM 845 CB CYS A 59 0.240 1.722 -1.438 1.00 0.00 C ATOM 846 SG CYS A 59 1.919 1.208 -1.852 1.00 0.00 S ATOM 0 H CYS A 59 -1.563 -0.361 -1.251 1.00 0.00 H new ATOM 0 HA CYS A 59 0.366 1.002 0.558 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -0.398 1.564 -2.308 1.00 0.00 H new ATOM 0 HB3 CYS A 59 0.243 2.793 -1.235 1.00 0.00 H new ATOM 851 N PRO A 60 -1.554 2.699 1.101 1.00 0.00 N ATOM 852 CA PRO A 60 -2.741 3.375 1.573 1.00 0.00 C ATOM 853 C PRO A 60 -3.464 4.018 0.395 1.00 0.00 C ATOM 854 O PRO A 60 -2.865 4.311 -0.641 1.00 0.00 O ATOM 855 CB PRO A 60 -2.298 4.405 2.611 1.00 0.00 C ATOM 856 CG PRO A 60 -0.772 4.450 2.529 1.00 0.00 C ATOM 857 CD PRO A 60 -0.337 3.332 1.580 1.00 0.00 C ATOM 0 HA PRO A 60 -3.444 2.682 2.036 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -2.730 5.383 2.400 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -2.628 4.120 3.610 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -0.435 5.419 2.162 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -0.329 4.311 3.515 1.00 0.00 H new ATOM 0 HD2 PRO A 60 0.244 3.733 0.750 1.00 0.00 H new ATOM 0 HD3 PRO A 60 0.298 2.611 2.095 1.00 0.00 H new ATOM 865 N CYS A 61 -4.770 4.208 0.552 1.00 0.00 N ATOM 866 CA CYS A 61 -5.593 4.820 -0.471 1.00 0.00 C ATOM 867 C CYS A 61 -5.190 6.283 -0.621 1.00 0.00 C ATOM 868 O CYS A 61 -4.745 6.903 0.346 1.00 0.00 O ATOM 869 CB CYS A 61 -7.069 4.675 -0.102 1.00 0.00 C ATOM 870 SG CYS A 61 -7.620 2.975 0.138 1.00 0.00 S ATOM 0 H CYS A 61 -5.282 3.941 1.393 1.00 0.00 H new ATOM 0 HA CYS A 61 -5.443 4.322 -1.429 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -7.258 5.237 0.813 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -7.673 5.131 -0.887 1.00 0.00 H new ATOM 875 N ALA A 62 -5.313 6.833 -1.832 1.00 0.00 N ATOM 876 CA ALA A 62 -4.990 8.232 -2.068 1.00 0.00 C ATOM 877 C ALA A 62 -5.815 9.107 -1.110 1.00 0.00 C ATOM 878 O ALA A 62 -6.925 8.716 -0.756 1.00 0.00 O ATOM 879 CB ALA A 62 -5.253 8.589 -3.535 1.00 0.00 C ATOM 0 H ALA A 62 -5.633 6.328 -2.658 1.00 0.00 H new ATOM 0 HA ALA A 62 -3.933 8.413 -1.873 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -5.009 9.638 -3.704 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -4.633 7.964 -4.178 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -6.304 8.419 -3.768 1.00 0.00 H new ATOM 885 N PRO A 63 -5.307 10.278 -0.693 1.00 0.00 N ATOM 886 CA PRO A 63 -5.966 11.179 0.246 1.00 0.00 C ATOM 887 C PRO A 63 -7.499 11.245 0.163 1.00 0.00 C ATOM 888 O PRO A 63 -8.170 11.099 1.181 1.00 0.00 O ATOM 889 CB PRO A 63 -5.300 12.535 0.019 1.00 0.00 C ATOM 890 CG PRO A 63 -3.856 12.125 -0.280 1.00 0.00 C ATOM 891 CD PRO A 63 -4.007 10.821 -1.069 1.00 0.00 C ATOM 0 HA PRO A 63 -5.834 10.804 1.261 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -5.751 13.079 -0.811 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -5.370 13.177 0.897 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -3.335 12.887 -0.860 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -3.284 11.975 0.636 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -3.956 11.005 -2.142 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -3.206 10.122 -0.827 1.00 0.00 H new ATOM 899 N ASN A 64 -8.070 11.435 -1.032 1.00 0.00 N ATOM 900 CA ASN A 64 -9.523 11.554 -1.197 1.00 0.00 C ATOM 901 C ASN A 64 -10.202 10.188 -1.377 1.00 0.00 C ATOM 902 O ASN A 64 -11.132 10.076 -2.174 1.00 0.00 O ATOM 903 CB ASN A 64 -9.845 12.461 -2.397 1.00 0.00 C ATOM 904 CG ASN A 64 -9.233 13.852 -2.325 1.00 0.00 C ATOM 905 OD1 ASN A 64 -8.842 14.343 -1.272 1.00 0.00 O ATOM 906 ND2 ASN A 64 -9.122 14.495 -3.482 1.00 0.00 N ATOM 0 H ASN A 64 -7.545 11.510 -1.903 1.00 0.00 H new ATOM 0 HA ASN A 64 -9.918 11.998 -0.283 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -9.498 11.973 -3.308 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -10.927 12.559 -2.481 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -8.702 15.424 -3.511 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -9.457 14.060 -4.342 1.00 0.00 H new ATOM 913 N LEU A 65 -9.719 9.141 -0.702 1.00 0.00 N ATOM 914 CA LEU A 65 -10.257 7.787 -0.767 1.00 0.00 C ATOM 915 C LEU A 65 -10.045 7.121 0.596 1.00 0.00 C ATOM 916 O LEU A 65 -9.225 7.584 1.387 1.00 0.00 O ATOM 917 CB LEU A 65 -9.508 6.961 -1.827 1.00 0.00 C ATOM 918 CG LEU A 65 -9.552 7.461 -3.277 1.00 0.00 C ATOM 919 CD1 LEU A 65 -8.591 6.620 -4.116 1.00 0.00 C ATOM 920 CD2 LEU A 65 -10.942 7.321 -3.891 1.00 0.00 C ATOM 0 H LEU A 65 -8.917 9.219 -0.076 1.00 0.00 H new ATOM 0 HA LEU A 65 -11.314 7.833 -1.028 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -8.463 6.896 -1.525 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -9.909 5.948 -1.809 1.00 0.00 H new ATOM 0 HG LEU A 65 -9.276 8.515 -3.270 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -8.613 6.965 -5.150 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -7.580 6.720 -3.721 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -8.894 5.574 -4.077 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -10.925 7.687 -4.917 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -11.238 6.272 -3.885 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -11.657 7.903 -3.310 1.00 0.00 H new ATOM 932 N ALA A 66 -10.744 6.012 0.858 1.00 0.00 N ATOM 933 CA ALA A 66 -10.619 5.233 2.083 1.00 0.00 C ATOM 934 C ALA A 66 -10.675 3.739 1.762 1.00 0.00 C ATOM 935 O ALA A 66 -11.350 3.321 0.819 1.00 0.00 O ATOM 936 CB ALA A 66 -11.725 5.612 3.067 1.00 0.00 C ATOM 0 H ALA A 66 -11.427 5.626 0.206 1.00 0.00 H new ATOM 0 HA ALA A 66 -9.657 5.454 2.545 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -11.620 5.022 3.978 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -11.648 6.672 3.310 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -12.697 5.412 2.616 1.00 0.00 H new ATOM 942 N CYS A 67 -9.961 2.940 2.562 1.00 0.00 N ATOM 943 CA CYS A 67 -9.886 1.492 2.416 1.00 0.00 C ATOM 944 C CYS A 67 -11.112 0.856 3.071 1.00 0.00 C ATOM 945 O CYS A 67 -11.141 0.713 4.292 1.00 0.00 O ATOM 946 CB CYS A 67 -8.588 0.977 3.059 1.00 0.00 C ATOM 947 SG CYS A 67 -8.339 -0.797 2.855 1.00 0.00 S ATOM 0 H CYS A 67 -9.410 3.294 3.344 1.00 0.00 H new ATOM 0 HA CYS A 67 -9.876 1.222 1.360 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -7.741 1.507 2.624 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -8.600 1.214 4.123 1.00 0.00 H new ATOM 952 N VAL A 68 -12.132 0.498 2.284 1.00 0.00 N ATOM 953 CA VAL A 68 -13.378 -0.080 2.787 1.00 0.00 C ATOM 954 C VAL A 68 -13.400 -1.574 2.475 1.00 0.00 C ATOM 955 O VAL A 68 -12.862 -2.005 1.458 1.00 0.00 O ATOM 956 CB VAL A 68 -14.592 0.622 2.156 1.00 0.00 C ATOM 957 CG1 VAL A 68 -15.907 0.218 2.837 1.00 0.00 C ATOM 958 CG2 VAL A 68 -14.471 2.151 2.222 1.00 0.00 C ATOM 0 H VAL A 68 -12.113 0.603 1.270 1.00 0.00 H new ATOM 0 HA VAL A 68 -13.432 0.063 3.866 1.00 0.00 H new ATOM 0 HB VAL A 68 -14.605 0.301 1.114 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -16.738 0.737 2.360 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -16.050 -0.859 2.743 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -15.868 0.488 3.892 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -15.350 2.606 1.765 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -14.400 2.466 3.263 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -13.577 2.469 1.685 1.00 0.00 H new ATOM 968 N GLN A 69 -14.022 -2.368 3.346 1.00 0.00 N ATOM 969 CA GLN A 69 -14.119 -3.808 3.175 1.00 0.00 C ATOM 970 C GLN A 69 -15.112 -4.138 2.061 1.00 0.00 C ATOM 971 O GLN A 69 -16.113 -3.443 1.902 1.00 0.00 O ATOM 972 CB GLN A 69 -14.396 -4.474 4.532 1.00 0.00 C ATOM 973 CG GLN A 69 -15.858 -4.439 4.986 1.00 0.00 C ATOM 974 CD GLN A 69 -16.769 -5.401 4.223 1.00 0.00 C ATOM 975 OE1 GLN A 69 -16.229 -6.511 3.725 1.00 0.00 O flip ATOM 976 NE2 GLN A 69 -17.952 -5.134 4.051 1.00 0.00 N flip ATOM 0 H GLN A 69 -14.474 -2.023 4.193 1.00 0.00 H new ATOM 0 HA GLN A 69 -13.173 -4.231 2.838 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -14.072 -5.514 4.482 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -13.784 -3.986 5.291 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -15.904 -4.677 6.049 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -16.240 -3.425 4.870 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -18.344 -4.277 4.442 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -18.546 -5.768 3.516 1.00 0.00 H new ATOM 985 N THR A 70 -14.819 -5.187 1.292 1.00 0.00 N ATOM 986 CA THR A 70 -15.683 -5.696 0.235 1.00 0.00 C ATOM 987 C THR A 70 -16.056 -7.144 0.553 1.00 0.00 C ATOM 988 O THR A 70 -17.216 -7.529 0.411 1.00 0.00 O ATOM 989 CB THR A 70 -15.038 -5.501 -1.144 1.00 0.00 C ATOM 990 OG1 THR A 70 -13.782 -6.141 -1.246 1.00 0.00 O ATOM 991 CG2 THR A 70 -14.855 -4.006 -1.426 1.00 0.00 C ATOM 0 H THR A 70 -13.953 -5.717 1.392 1.00 0.00 H new ATOM 0 HA THR A 70 -16.612 -5.127 0.193 1.00 0.00 H new ATOM 0 HB THR A 70 -15.708 -5.952 -1.876 1.00 0.00 H new ATOM 0 HG1 THR A 70 -13.453 -6.361 -0.349 1.00 0.00 H new ATOM 0 HG21 THR A 70 -14.397 -3.874 -2.406 1.00 0.00 H new ATOM 0 HG22 THR A 70 -15.826 -3.511 -1.410 1.00 0.00 H new ATOM 0 HG23 THR A 70 -14.212 -3.568 -0.663 1.00 0.00 H new ATOM 999 N SER A 71 -15.106 -7.964 1.015 1.00 0.00 N ATOM 1000 CA SER A 71 -15.383 -9.326 1.458 1.00 0.00 C ATOM 1001 C SER A 71 -14.360 -9.683 2.547 1.00 0.00 C ATOM 1002 O SER A 71 -13.475 -8.867 2.816 1.00 0.00 O ATOM 1003 CB SER A 71 -15.376 -10.279 0.253 1.00 0.00 C ATOM 1004 OG SER A 71 -16.050 -9.711 -0.853 1.00 0.00 O ATOM 0 H SER A 71 -14.124 -7.698 1.091 1.00 0.00 H new ATOM 0 HA SER A 71 -16.377 -9.420 1.896 1.00 0.00 H new ATOM 0 HB2 SER A 71 -14.348 -10.511 -0.024 1.00 0.00 H new ATOM 0 HB3 SER A 71 -15.852 -11.220 0.528 1.00 0.00 H new ATOM 0 HG SER A 71 -16.029 -10.338 -1.606 1.00 0.00 H new ATOM 1010 N PRO A 72 -14.468 -10.847 3.212 1.00 0.00 N ATOM 1011 CA PRO A 72 -13.546 -11.246 4.266 1.00 0.00 C ATOM 1012 C PRO A 72 -12.084 -11.109 3.835 1.00 0.00 C ATOM 1013 O PRO A 72 -11.649 -11.780 2.902 1.00 0.00 O ATOM 1014 CB PRO A 72 -13.920 -12.688 4.618 1.00 0.00 C ATOM 1015 CG PRO A 72 -15.419 -12.716 4.325 1.00 0.00 C ATOM 1016 CD PRO A 72 -15.520 -11.842 3.074 1.00 0.00 C ATOM 0 HA PRO A 72 -13.633 -10.596 5.137 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -13.373 -13.410 4.011 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -13.705 -12.921 5.661 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -15.780 -13.729 4.144 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -16.003 -12.312 5.152 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -15.384 -12.434 2.169 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -16.500 -11.370 3.002 1.00 0.00 H new ATOM 1024 N LYS A 73 -11.348 -10.216 4.508 1.00 0.00 N ATOM 1025 CA LYS A 73 -9.942 -9.913 4.260 1.00 0.00 C ATOM 1026 C LYS A 73 -9.692 -9.340 2.856 1.00 0.00 C ATOM 1027 O LYS A 73 -8.569 -9.407 2.361 1.00 0.00 O ATOM 1028 CB LYS A 73 -9.054 -11.135 4.556 1.00 0.00 C ATOM 1029 CG LYS A 73 -9.288 -11.697 5.965 1.00 0.00 C ATOM 1030 CD LYS A 73 -8.308 -12.847 6.235 1.00 0.00 C ATOM 1031 CE LYS A 73 -8.569 -13.520 7.588 1.00 0.00 C ATOM 1032 NZ LYS A 73 -8.353 -12.597 8.717 1.00 0.00 N ATOM 0 H LYS A 73 -11.737 -9.664 5.272 1.00 0.00 H new ATOM 0 HA LYS A 73 -9.660 -9.121 4.954 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -9.253 -11.913 3.819 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -8.006 -10.855 4.448 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -9.153 -10.910 6.707 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -10.314 -12.052 6.059 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -8.391 -13.588 5.440 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -7.287 -12.466 6.211 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -9.593 -13.893 7.616 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -7.913 -14.384 7.696 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -8.491 -13.106 9.613 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -7.384 -12.221 8.678 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -9.032 -11.811 8.658 1.00 0.00 H new ATOM 1046 N LYS A 74 -10.712 -8.749 2.223 1.00 0.00 N ATOM 1047 CA LYS A 74 -10.613 -8.138 0.905 1.00 0.00 C ATOM 1048 C LYS A 74 -11.233 -6.750 0.990 1.00 0.00 C ATOM 1049 O LYS A 74 -12.457 -6.624 1.085 1.00 0.00 O ATOM 1050 CB LYS A 74 -11.348 -8.987 -0.137 1.00 0.00 C ATOM 1051 CG LYS A 74 -10.772 -10.403 -0.216 1.00 0.00 C ATOM 1052 CD LYS A 74 -11.558 -11.217 -1.249 1.00 0.00 C ATOM 1053 CE LYS A 74 -11.468 -12.721 -0.956 1.00 0.00 C ATOM 1054 NZ LYS A 74 -12.190 -13.092 0.278 1.00 0.00 N ATOM 0 H LYS A 74 -11.646 -8.684 2.627 1.00 0.00 H new ATOM 0 HA LYS A 74 -9.569 -8.070 0.598 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -12.407 -9.038 0.115 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -11.276 -8.509 -1.114 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -9.719 -10.364 -0.493 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -10.827 -10.884 0.760 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -12.602 -10.905 -1.244 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -11.170 -11.014 -2.247 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -11.879 -13.279 -1.797 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -10.421 -13.010 -0.863 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -12.219 -14.128 0.365 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -11.700 -12.689 1.102 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -13.161 -12.721 0.237 1.00 0.00 H new ATOM 1068 N PHE A 75 -10.394 -5.714 0.994 1.00 0.00 N ATOM 1069 CA PHE A 75 -10.816 -4.327 1.059 1.00 0.00 C ATOM 1070 C PHE A 75 -10.385 -3.634 -0.233 1.00 0.00 C ATOM 1071 O PHE A 75 -9.427 -4.068 -0.874 1.00 0.00 O ATOM 1072 CB PHE A 75 -10.190 -3.620 2.273 1.00 0.00 C ATOM 1073 CG PHE A 75 -10.679 -3.970 3.673 1.00 0.00 C ATOM 1074 CD1 PHE A 75 -10.685 -5.299 4.142 1.00 0.00 C ATOM 1075 CD2 PHE A 75 -10.992 -2.926 4.569 1.00 0.00 C ATOM 1076 CE1 PHE A 75 -11.044 -5.583 5.471 1.00 0.00 C ATOM 1077 CE2 PHE A 75 -11.322 -3.207 5.905 1.00 0.00 C ATOM 1078 CZ PHE A 75 -11.354 -4.537 6.356 1.00 0.00 C ATOM 0 H PHE A 75 -9.381 -5.825 0.951 1.00 0.00 H new ATOM 0 HA PHE A 75 -11.899 -4.280 1.171 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -9.117 -3.808 2.244 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -10.330 -2.548 2.136 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -10.412 -6.104 3.476 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -10.978 -1.902 4.225 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -11.082 -6.607 5.812 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -11.551 -2.400 6.586 1.00 0.00 H new ATOM 0 HZ PHE A 75 -11.616 -4.755 7.381 1.00 0.00 H new ATOM 1088 N LYS A 76 -11.090 -2.565 -0.613 1.00 0.00 N ATOM 1089 CA LYS A 76 -10.801 -1.765 -1.791 1.00 0.00 C ATOM 1090 C LYS A 76 -10.857 -0.279 -1.437 1.00 0.00 C ATOM 1091 O LYS A 76 -11.518 0.123 -0.476 1.00 0.00 O ATOM 1092 CB LYS A 76 -11.779 -2.088 -2.927 1.00 0.00 C ATOM 1093 CG LYS A 76 -11.712 -3.561 -3.350 1.00 0.00 C ATOM 1094 CD LYS A 76 -12.537 -3.765 -4.626 1.00 0.00 C ATOM 1095 CE LYS A 76 -12.682 -5.251 -4.975 1.00 0.00 C ATOM 1096 NZ LYS A 76 -11.390 -5.858 -5.343 1.00 0.00 N ATOM 0 H LYS A 76 -11.899 -2.228 -0.090 1.00 0.00 H new ATOM 0 HA LYS A 76 -9.797 -2.008 -2.138 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -12.794 -1.849 -2.609 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -11.557 -1.455 -3.786 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -10.676 -3.854 -3.523 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -12.094 -4.197 -2.552 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -13.525 -3.324 -4.495 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -12.061 -3.241 -5.455 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -13.104 -5.784 -4.123 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -13.384 -5.363 -5.801 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -11.536 -6.854 -5.605 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -10.982 -5.344 -6.150 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -10.738 -5.805 -4.534 1.00 0.00 H new ATOM 1110 N CYS A 77 -10.143 0.530 -2.218 1.00 0.00 N ATOM 1111 CA CYS A 77 -10.060 1.970 -2.034 1.00 0.00 C ATOM 1112 C CYS A 77 -11.267 2.633 -2.678 1.00 0.00 C ATOM 1113 O CYS A 77 -11.301 2.782 -3.899 1.00 0.00 O ATOM 1114 CB CYS A 77 -8.763 2.505 -2.646 1.00 0.00 C ATOM 1115 SG CYS A 77 -7.279 2.090 -1.711 1.00 0.00 S ATOM 0 H CYS A 77 -9.597 0.192 -3.011 1.00 0.00 H new ATOM 0 HA CYS A 77 -10.056 2.200 -0.968 1.00 0.00 H new ATOM 0 HB2 CYS A 77 -8.663 2.112 -3.658 1.00 0.00 H new ATOM 0 HB3 CYS A 77 -8.834 3.589 -2.730 1.00 0.00 H new ATOM 1120 N LEU A 78 -12.262 3.023 -1.880 1.00 0.00 N ATOM 1121 CA LEU A 78 -13.465 3.665 -2.337 1.00 0.00 C ATOM 1122 C LEU A 78 -13.439 5.148 -1.978 1.00 0.00 C ATOM 1123 O LEU A 78 -12.624 5.593 -1.173 1.00 0.00 O ATOM 1124 CB LEU A 78 -14.632 2.975 -1.642 1.00 0.00 C ATOM 1125 CG LEU A 78 -14.778 1.479 -1.968 1.00 0.00 C ATOM 1126 CD1 LEU A 78 -16.121 0.981 -1.422 1.00 0.00 C ATOM 1127 CD2 LEU A 78 -14.718 1.206 -3.476 1.00 0.00 C ATOM 0 H LEU A 78 -12.238 2.890 -0.869 1.00 0.00 H new ATOM 0 HA LEU A 78 -13.559 3.587 -3.420 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -14.515 3.089 -0.564 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -15.555 3.485 -1.918 1.00 0.00 H new ATOM 0 HG LEU A 78 -13.945 0.952 -1.502 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -16.235 -0.079 -1.648 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -16.152 1.127 -0.342 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -16.933 1.540 -1.887 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -14.825 0.136 -3.657 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -15.526 1.741 -3.975 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -13.760 1.546 -3.869 1.00 0.00 H new ATOM 1139 N SER A 79 -14.349 5.909 -2.581 1.00 0.00 N ATOM 1140 CA SER A 79 -14.472 7.342 -2.375 1.00 0.00 C ATOM 1141 C SER A 79 -15.174 7.647 -1.056 1.00 0.00 C ATOM 1142 O SER A 79 -16.326 7.256 -0.876 1.00 0.00 O ATOM 1143 CB SER A 79 -15.224 7.953 -3.560 1.00 0.00 C ATOM 1144 OG SER A 79 -14.648 7.493 -4.769 1.00 0.00 O ATOM 0 H SER A 79 -15.033 5.535 -3.239 1.00 0.00 H new ATOM 0 HA SER A 79 -13.478 7.786 -2.317 1.00 0.00 H new ATOM 0 HB2 SER A 79 -16.278 7.677 -3.518 1.00 0.00 H new ATOM 0 HB3 SER A 79 -15.177 9.041 -3.513 1.00 0.00 H new ATOM 0 HG SER A 79 -15.129 7.882 -5.529 1.00 0.00 H new ATOM 1150 N LYS A 80 -14.475 8.332 -0.152 1.00 0.00 N ATOM 1151 CA LYS A 80 -14.924 8.808 1.140 1.00 0.00 C ATOM 1152 C LYS A 80 -14.066 10.047 1.393 1.00 0.00 C ATOM 1153 O LYS A 80 -14.485 10.884 2.220 1.00 0.00 O ATOM 1154 CB LYS A 80 -14.669 7.768 2.241 1.00 0.00 C ATOM 1155 CG LYS A 80 -15.429 6.441 2.097 1.00 0.00 C ATOM 1156 CD LYS A 80 -16.947 6.628 2.238 1.00 0.00 C ATOM 1157 CE LYS A 80 -17.700 5.306 2.050 1.00 0.00 C ATOM 1158 NZ LYS A 80 -17.372 4.328 3.101 1.00 0.00 N ATOM 1159 OXT LYS A 80 -12.999 10.118 0.736 1.00 0.00 O ATOM 0 H LYS A 80 -13.502 8.585 -0.326 1.00 0.00 H new ATOM 0 HA LYS A 80 -15.995 9.009 1.150 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -13.601 7.552 2.270 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -14.930 8.212 3.201 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -15.207 6.000 1.125 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -15.079 5.739 2.853 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -17.173 7.039 3.222 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -17.295 7.353 1.502 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -18.773 5.497 2.055 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -17.455 4.885 1.075 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -17.988 3.496 3.005 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -16.378 4.036 3.006 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -17.517 4.761 4.035 1.00 0.00 H new