USER MOD reduce.3.24.130724 H: found=0, std=0, add=704, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 704 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 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 MET CE :methyl 161:sc= 0 (180deg=-0.57) USER MOD Single : A 11 SER OG : rot 33:sc= 0.403 USER MOD Single : A 13 TYR OH : rot 180:sc= -0.292 USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 120:sc= 0.0601 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 HIS : no HD1:sc= -2.84! C(o=-2.8!,f=-13!) USER MOD Single : A 33 ASN : amide:sc= -0.598 K(o=-0.6,f=-2.3) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 GLN :FLIP amide:sc= -0.12 F(o=-1.3,f=-0.12) USER MOD Single : A 57 THR OG1 : rot 180:sc= -1.08 USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 GLN : amide:sc= -0.285 K(o=-0.28,f=-1.3!) USER MOD Single : A 75 HIS : no HD1:sc= -0.598 K(o=-0.6,f=-1.3) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 90 SER OG : rot -150:sc= 0 USER MOD Single : A 91 THR OG1 : rot 86:sc= -5.81! USER MOD Single : A 92 GLN :FLIP amide:sc= -0.206 F(o=-1.1,f=-0.21) USER MOD Single : A 99 GLN : amide:sc= -0.148 K(o=-0.15,f=-0.91) USER MOD Single : A 102 THR OG1 : rot -55:sc= 0.0916 USER MOD ----------------------------------------------------------------- ATOM 91 N MET A 10 -6.757 0.057 5.550 1.00 0.00 N ATOM 92 CA MET A 10 -5.629 0.729 6.172 1.00 0.00 C ATOM 93 C MET A 10 -5.781 2.249 6.088 1.00 0.00 C ATOM 94 O MET A 10 -6.183 2.780 5.054 1.00 0.00 O ATOM 95 CB MET A 10 -4.334 0.306 5.474 1.00 0.00 C ATOM 96 CG MET A 10 -3.337 -0.280 6.475 1.00 0.00 C ATOM 97 SD MET A 10 -3.090 0.858 7.828 1.00 0.00 S ATOM 98 CE MET A 10 -1.796 0.008 8.716 1.00 0.00 C ATOM 0 HA MET A 10 -5.596 0.444 7.224 1.00 0.00 H new ATOM 0 HB2 MET A 10 -4.557 -0.432 4.703 1.00 0.00 H new ATOM 0 HB3 MET A 10 -3.889 1.166 4.973 1.00 0.00 H new ATOM 0 HG2 MET A 10 -3.707 -1.233 6.853 1.00 0.00 H new ATOM 0 HG3 MET A 10 -2.387 -0.481 5.980 1.00 0.00 H new ATOM 0 HE1 MET A 10 -1.290 0.709 9.380 1.00 0.00 H new ATOM 0 HE2 MET A 10 -2.229 -0.801 9.304 1.00 0.00 H new ATOM 0 HE3 MET A 10 -1.078 -0.403 8.007 1.00 0.00 H new ATOM 108 N SER A 11 -5.452 2.906 7.191 1.00 0.00 N ATOM 109 CA SER A 11 -5.548 4.355 7.255 1.00 0.00 C ATOM 110 C SER A 11 -4.665 4.888 8.385 1.00 0.00 C ATOM 111 O SER A 11 -4.829 4.500 9.541 1.00 0.00 O ATOM 112 CB SER A 11 -6.997 4.803 7.457 1.00 0.00 C ATOM 113 OG SER A 11 -7.533 4.335 8.691 1.00 0.00 O ATOM 0 H SER A 11 -5.119 2.462 8.047 1.00 0.00 H new ATOM 0 HA SER A 11 -5.199 4.763 6.306 1.00 0.00 H new ATOM 0 HB2 SER A 11 -7.047 5.892 7.430 1.00 0.00 H new ATOM 0 HB3 SER A 11 -7.609 4.435 6.633 1.00 0.00 H new ATOM 0 HG SER A 11 -6.820 4.290 9.361 1.00 0.00 H new ATOM 119 N GLY A 12 -3.748 5.768 8.011 1.00 0.00 N ATOM 120 CA GLY A 12 -2.839 6.358 8.979 1.00 0.00 C ATOM 121 C GLY A 12 -1.844 7.298 8.295 1.00 0.00 C ATOM 122 O GLY A 12 -1.488 7.094 7.136 1.00 0.00 O ATOM 0 H GLY A 12 -3.615 6.087 7.051 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -3.408 6.908 9.729 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -2.299 5.570 9.503 1.00 0.00 H new ATOM 126 N TYR A 13 -1.424 8.308 9.043 1.00 0.00 N ATOM 127 CA TYR A 13 -0.478 9.281 8.523 1.00 0.00 C ATOM 128 C TYR A 13 0.839 8.608 8.128 1.00 0.00 C ATOM 129 O TYR A 13 1.359 7.772 8.865 1.00 0.00 O ATOM 130 CB TYR A 13 -0.212 10.263 9.665 1.00 0.00 C ATOM 131 CG TYR A 13 -1.297 11.327 9.837 1.00 0.00 C ATOM 132 CD1 TYR A 13 -1.469 12.299 8.872 1.00 0.00 C ATOM 133 CD2 TYR A 13 -2.105 11.314 10.955 1.00 0.00 C ATOM 134 CE1 TYR A 13 -2.491 13.301 9.034 1.00 0.00 C ATOM 135 CE2 TYR A 13 -3.127 12.316 11.117 1.00 0.00 C ATOM 136 CZ TYR A 13 -3.270 13.260 10.148 1.00 0.00 C ATOM 137 OH TYR A 13 -4.235 14.206 10.300 1.00 0.00 O ATOM 0 H TYR A 13 -1.721 8.474 10.005 1.00 0.00 H new ATOM 0 HA TYR A 13 -0.880 9.771 7.636 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -0.115 9.704 10.596 1.00 0.00 H new ATOM 0 HB3 TYR A 13 0.743 10.758 9.490 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -0.838 12.308 7.996 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -1.971 10.552 11.709 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -2.635 14.068 8.287 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -3.765 12.318 11.988 1.00 0.00 H new ATOM 0 HH TYR A 13 -4.714 14.052 11.141 1.00 0.00 H new ATOM 147 N LEU A 14 1.340 8.997 6.965 1.00 0.00 N ATOM 148 CA LEU A 14 2.585 8.442 6.463 1.00 0.00 C ATOM 149 C LEU A 14 3.435 9.566 5.865 1.00 0.00 C ATOM 150 O LEU A 14 3.012 10.720 5.835 1.00 0.00 O ATOM 151 CB LEU A 14 2.307 7.297 5.487 1.00 0.00 C ATOM 152 CG LEU A 14 1.328 6.226 5.973 1.00 0.00 C ATOM 153 CD1 LEU A 14 0.451 5.723 4.824 1.00 0.00 C ATOM 154 CD2 LEU A 14 2.067 5.083 6.672 1.00 0.00 C ATOM 0 H LEU A 14 0.906 9.690 6.356 1.00 0.00 H new ATOM 0 HA LEU A 14 3.162 8.003 7.277 1.00 0.00 H new ATOM 0 HB2 LEU A 14 1.920 7.721 4.560 1.00 0.00 H new ATOM 0 HB3 LEU A 14 3.254 6.813 5.246 1.00 0.00 H new ATOM 0 HG LEU A 14 0.665 6.679 6.710 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -0.236 4.963 5.196 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -0.119 6.555 4.410 1.00 0.00 H new ATOM 0 HD13 LEU A 14 1.082 5.293 4.046 1.00 0.00 H new ATOM 0 HD21 LEU A 14 1.348 4.336 7.007 1.00 0.00 H new ATOM 0 HD22 LEU A 14 2.769 4.624 5.976 1.00 0.00 H new ATOM 0 HD23 LEU A 14 2.612 5.474 7.532 1.00 0.00 H new ATOM 166 N TYR A 15 4.618 9.188 5.404 1.00 0.00 N ATOM 167 CA TYR A 15 5.531 10.149 4.809 1.00 0.00 C ATOM 168 C TYR A 15 5.840 9.785 3.356 1.00 0.00 C ATOM 169 O TYR A 15 6.429 8.740 3.085 1.00 0.00 O ATOM 170 CB TYR A 15 6.821 10.068 5.628 1.00 0.00 C ATOM 171 CG TYR A 15 6.649 10.446 7.100 1.00 0.00 C ATOM 172 CD1 TYR A 15 6.101 11.667 7.439 1.00 0.00 C ATOM 173 CD2 TYR A 15 7.042 9.568 8.089 1.00 0.00 C ATOM 174 CE1 TYR A 15 5.939 12.023 8.825 1.00 0.00 C ATOM 175 CE2 TYR A 15 6.880 9.924 9.475 1.00 0.00 C ATOM 176 CZ TYR A 15 6.337 11.134 9.774 1.00 0.00 C ATOM 177 OH TYR A 15 6.184 11.471 11.083 1.00 0.00 O ATOM 0 H TYR A 15 4.965 8.229 5.430 1.00 0.00 H new ATOM 0 HA TYR A 15 5.094 11.148 4.815 1.00 0.00 H new ATOM 0 HB2 TYR A 15 7.214 9.053 5.568 1.00 0.00 H new ATOM 0 HB3 TYR A 15 7.566 10.725 5.179 1.00 0.00 H new ATOM 0 HD1 TYR A 15 5.794 12.355 6.665 1.00 0.00 H new ATOM 0 HD2 TYR A 15 7.471 8.613 7.824 1.00 0.00 H new ATOM 0 HE1 TYR A 15 5.511 12.974 9.104 1.00 0.00 H new ATOM 0 HE2 TYR A 15 7.183 9.245 10.259 1.00 0.00 H new ATOM 0 HH TYR A 15 6.510 10.741 11.649 1.00 0.00 H new ATOM 187 N ARG A 16 5.427 10.668 2.458 1.00 0.00 N ATOM 188 CA ARG A 16 5.652 10.453 1.038 1.00 0.00 C ATOM 189 C ARG A 16 6.974 11.092 0.607 1.00 0.00 C ATOM 190 O ARG A 16 7.344 12.155 1.103 1.00 0.00 O ATOM 191 CB ARG A 16 4.513 11.042 0.205 1.00 0.00 C ATOM 192 CG ARG A 16 4.806 10.916 -1.292 1.00 0.00 C ATOM 193 CD ARG A 16 3.510 10.891 -2.105 1.00 0.00 C ATOM 194 NE ARG A 16 3.365 12.152 -2.865 1.00 0.00 N ATOM 195 CZ ARG A 16 2.293 12.464 -3.606 1.00 0.00 C ATOM 196 NH1 ARG A 16 1.266 11.608 -3.691 1.00 0.00 N ATOM 197 NH2 ARG A 16 2.249 13.631 -4.263 1.00 0.00 N ATOM 0 H ARG A 16 4.938 11.534 2.686 1.00 0.00 H new ATOM 0 HA ARG A 16 5.692 9.377 0.868 1.00 0.00 H new ATOM 0 HB2 ARG A 16 3.581 10.528 0.441 1.00 0.00 H new ATOM 0 HB3 ARG A 16 4.373 12.091 0.465 1.00 0.00 H new ATOM 0 HG2 ARG A 16 5.427 11.751 -1.616 1.00 0.00 H new ATOM 0 HG3 ARG A 16 5.375 10.005 -1.479 1.00 0.00 H new ATOM 0 HD2 ARG A 16 3.517 10.043 -2.790 1.00 0.00 H new ATOM 0 HD3 ARG A 16 2.657 10.757 -1.440 1.00 0.00 H new ATOM 0 HE ARG A 16 4.129 12.826 -2.822 1.00 0.00 H new ATOM 0 HH11 ARG A 16 1.300 10.719 -3.192 1.00 0.00 H new ATOM 0 HH12 ARG A 16 0.450 11.845 -4.255 1.00 0.00 H new ATOM 0 HH21 ARG A 16 3.032 14.282 -4.199 1.00 0.00 H new ATOM 0 HH22 ARG A 16 1.433 13.868 -4.827 1.00 0.00 H new ATOM 211 N SER A 17 7.649 10.417 -0.311 1.00 0.00 N ATOM 212 CA SER A 17 8.921 10.906 -0.814 1.00 0.00 C ATOM 213 C SER A 17 9.153 10.393 -2.237 1.00 0.00 C ATOM 214 O SER A 17 8.571 9.387 -2.641 1.00 0.00 O ATOM 215 CB SER A 17 10.074 10.481 0.097 1.00 0.00 C ATOM 216 OG SER A 17 10.735 11.601 0.680 1.00 0.00 O ATOM 0 H SER A 17 7.339 9.535 -0.720 1.00 0.00 H new ATOM 0 HA SER A 17 8.887 11.995 -0.828 1.00 0.00 H new ATOM 0 HB2 SER A 17 9.692 9.834 0.887 1.00 0.00 H new ATOM 0 HB3 SER A 17 10.792 9.895 -0.476 1.00 0.00 H new ATOM 0 HG SER A 17 10.670 11.548 1.656 1.00 0.00 H new ATOM 222 N LYS A 18 10.004 11.107 -2.958 1.00 0.00 N ATOM 223 CA LYS A 18 10.320 10.737 -4.327 1.00 0.00 C ATOM 224 C LYS A 18 11.654 9.988 -4.353 1.00 0.00 C ATOM 225 O LYS A 18 12.296 9.892 -5.398 1.00 0.00 O ATOM 226 CB LYS A 18 10.288 11.967 -5.236 1.00 0.00 C ATOM 227 CG LYS A 18 8.938 12.681 -5.146 1.00 0.00 C ATOM 228 CD LYS A 18 8.862 13.555 -3.893 1.00 0.00 C ATOM 229 CE LYS A 18 8.281 14.932 -4.220 1.00 0.00 C ATOM 230 NZ LYS A 18 8.523 15.875 -3.105 1.00 0.00 N ATOM 0 H LYS A 18 10.485 11.941 -2.620 1.00 0.00 H new ATOM 0 HA LYS A 18 9.564 10.058 -4.722 1.00 0.00 H new ATOM 0 HB2 LYS A 18 11.086 12.653 -4.953 1.00 0.00 H new ATOM 0 HB3 LYS A 18 10.477 11.667 -6.267 1.00 0.00 H new ATOM 0 HG2 LYS A 18 8.789 13.297 -6.033 1.00 0.00 H new ATOM 0 HG3 LYS A 18 8.134 11.945 -5.130 1.00 0.00 H new ATOM 0 HD2 LYS A 18 8.244 13.065 -3.140 1.00 0.00 H new ATOM 0 HD3 LYS A 18 9.857 13.669 -3.464 1.00 0.00 H new ATOM 0 HE2 LYS A 18 8.734 15.316 -5.134 1.00 0.00 H new ATOM 0 HE3 LYS A 18 7.210 14.847 -4.406 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 8.122 16.805 -3.343 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 8.071 15.514 -2.241 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 9.546 15.970 -2.946 1.00 0.00 H new ATOM 244 N GLY A 19 12.031 9.475 -3.191 1.00 0.00 N ATOM 245 CA GLY A 19 13.277 8.737 -3.068 1.00 0.00 C ATOM 246 C GLY A 19 14.063 9.190 -1.836 1.00 0.00 C ATOM 247 O GLY A 19 13.551 9.947 -1.013 1.00 0.00 O ATOM 0 H GLY A 19 11.496 9.556 -2.326 1.00 0.00 H new ATOM 0 HA2 GLY A 19 13.066 7.670 -2.997 1.00 0.00 H new ATOM 0 HA3 GLY A 19 13.881 8.884 -3.963 1.00 0.00 H new ATOM 251 N SER A 20 15.294 8.708 -1.749 1.00 0.00 N ATOM 252 CA SER A 20 16.156 9.054 -0.632 1.00 0.00 C ATOM 253 C SER A 20 16.771 10.437 -0.854 1.00 0.00 C ATOM 254 O SER A 20 16.978 10.853 -1.994 1.00 0.00 O ATOM 255 CB SER A 20 17.256 8.009 -0.440 1.00 0.00 C ATOM 256 OG SER A 20 16.725 6.734 -0.088 1.00 0.00 O ATOM 0 H SER A 20 15.715 8.080 -2.434 1.00 0.00 H new ATOM 0 HA SER A 20 15.550 9.074 0.274 1.00 0.00 H new ATOM 0 HB2 SER A 20 17.835 7.919 -1.359 1.00 0.00 H new ATOM 0 HB3 SER A 20 17.942 8.343 0.338 1.00 0.00 H new ATOM 0 HG SER A 20 17.458 6.094 0.024 1.00 0.00 H new ATOM 262 N LYS A 21 17.047 11.112 0.252 1.00 0.00 N ATOM 263 CA LYS A 21 17.634 12.440 0.192 1.00 0.00 C ATOM 264 C LYS A 21 16.545 13.460 -0.147 1.00 0.00 C ATOM 265 O LYS A 21 16.817 14.656 -0.240 1.00 0.00 O ATOM 266 CB LYS A 21 18.818 12.459 -0.777 1.00 0.00 C ATOM 267 CG LYS A 21 19.623 11.161 -0.685 1.00 0.00 C ATOM 268 CD LYS A 21 21.122 11.435 -0.815 1.00 0.00 C ATOM 269 CE LYS A 21 21.835 11.233 0.523 1.00 0.00 C ATOM 270 NZ LYS A 21 23.281 11.001 0.311 1.00 0.00 N ATOM 0 H LYS A 21 16.875 10.764 1.195 1.00 0.00 H new ATOM 0 HA LYS A 21 18.042 12.720 1.163 1.00 0.00 H new ATOM 0 HB2 LYS A 21 18.456 12.595 -1.796 1.00 0.00 H new ATOM 0 HB3 LYS A 21 19.463 13.308 -0.552 1.00 0.00 H new ATOM 0 HG2 LYS A 21 19.421 10.670 0.267 1.00 0.00 H new ATOM 0 HG3 LYS A 21 19.306 10.476 -1.471 1.00 0.00 H new ATOM 0 HD2 LYS A 21 21.553 10.771 -1.564 1.00 0.00 H new ATOM 0 HD3 LYS A 21 21.280 12.455 -1.165 1.00 0.00 H new ATOM 0 HE2 LYS A 21 21.690 12.109 1.155 1.00 0.00 H new ATOM 0 HE3 LYS A 21 21.398 10.385 1.050 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 23.749 10.866 1.230 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 23.414 10.151 -0.274 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 23.697 11.823 -0.172 1.00 0.00 H new ATOM 284 N LYS A 22 15.335 12.950 -0.323 1.00 0.00 N ATOM 285 CA LYS A 22 14.204 13.801 -0.649 1.00 0.00 C ATOM 286 C LYS A 22 13.439 14.139 0.632 1.00 0.00 C ATOM 287 O LYS A 22 13.510 13.403 1.614 1.00 0.00 O ATOM 288 CB LYS A 22 13.338 13.150 -1.729 1.00 0.00 C ATOM 289 CG LYS A 22 13.961 13.331 -3.115 1.00 0.00 C ATOM 290 CD LYS A 22 13.285 14.473 -3.876 1.00 0.00 C ATOM 291 CE LYS A 22 14.308 15.278 -4.680 1.00 0.00 C ATOM 292 NZ LYS A 22 13.625 16.229 -5.585 1.00 0.00 N ATOM 0 H LYS A 22 15.113 11.957 -0.246 1.00 0.00 H new ATOM 0 HA LYS A 22 14.547 14.744 -1.074 1.00 0.00 H new ATOM 0 HB2 LYS A 22 13.221 12.088 -1.515 1.00 0.00 H new ATOM 0 HB3 LYS A 22 12.341 13.590 -1.714 1.00 0.00 H new ATOM 0 HG2 LYS A 22 15.027 13.537 -3.014 1.00 0.00 H new ATOM 0 HG3 LYS A 22 13.868 12.405 -3.683 1.00 0.00 H new ATOM 0 HD2 LYS A 22 12.527 14.069 -4.547 1.00 0.00 H new ATOM 0 HD3 LYS A 22 12.772 15.129 -3.173 1.00 0.00 H new ATOM 0 HE2 LYS A 22 14.966 15.821 -4.002 1.00 0.00 H new ATOM 0 HE3 LYS A 22 14.936 14.602 -5.260 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 14.334 16.767 -6.123 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 13.016 15.704 -6.244 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 13.044 16.885 -5.025 1.00 0.00 H new ATOM 306 N PRO A 23 12.706 15.284 0.578 1.00 0.00 N ATOM 307 CA PRO A 23 11.929 15.729 1.722 1.00 0.00 C ATOM 308 C PRO A 23 10.663 14.885 1.887 1.00 0.00 C ATOM 309 O PRO A 23 9.977 14.592 0.909 1.00 0.00 O ATOM 310 CB PRO A 23 11.634 17.195 1.452 1.00 0.00 C ATOM 311 CG PRO A 23 11.854 17.396 -0.039 1.00 0.00 C ATOM 312 CD PRO A 23 12.599 16.181 -0.568 1.00 0.00 C ATOM 0 HA PRO A 23 12.464 15.611 2.664 1.00 0.00 H new ATOM 0 HB2 PRO A 23 10.611 17.446 1.733 1.00 0.00 H new ATOM 0 HB3 PRO A 23 12.292 17.840 2.034 1.00 0.00 H new ATOM 0 HG2 PRO A 23 10.900 17.513 -0.553 1.00 0.00 H new ATOM 0 HG3 PRO A 23 12.428 18.305 -0.221 1.00 0.00 H new ATOM 0 HD2 PRO A 23 12.058 15.711 -1.389 1.00 0.00 H new ATOM 0 HD3 PRO A 23 13.583 16.455 -0.950 1.00 0.00 H new ATOM 320 N TRP A 24 10.392 14.518 3.131 1.00 0.00 N ATOM 321 CA TRP A 24 9.221 13.714 3.435 1.00 0.00 C ATOM 322 C TRP A 24 7.996 14.630 3.399 1.00 0.00 C ATOM 323 O TRP A 24 8.126 15.850 3.482 1.00 0.00 O ATOM 324 CB TRP A 24 9.386 12.989 4.773 1.00 0.00 C ATOM 325 CG TRP A 24 10.493 11.932 4.775 1.00 0.00 C ATOM 326 CD1 TRP A 24 11.703 12.007 5.345 1.00 0.00 C ATOM 327 CD2 TRP A 24 10.441 10.631 4.153 1.00 0.00 C ATOM 328 NE1 TRP A 24 12.433 10.854 5.136 1.00 0.00 N ATOM 329 CE2 TRP A 24 11.640 9.991 4.388 1.00 0.00 C ATOM 330 CE3 TRP A 24 9.414 10.016 3.415 1.00 0.00 C ATOM 331 CZ2 TRP A 24 11.926 8.702 3.921 1.00 0.00 C ATOM 332 CZ3 TRP A 24 9.715 8.728 2.955 1.00 0.00 C ATOM 333 CH2 TRP A 24 10.918 8.070 3.183 1.00 0.00 C ATOM 0 H TRP A 24 10.963 14.763 3.940 1.00 0.00 H new ATOM 0 HA TRP A 24 9.090 12.928 2.692 1.00 0.00 H new ATOM 0 HB2 TRP A 24 9.598 13.724 5.549 1.00 0.00 H new ATOM 0 HB3 TRP A 24 8.442 12.512 5.035 1.00 0.00 H new ATOM 0 HD1 TRP A 24 12.062 12.862 5.898 1.00 0.00 H new ATOM 0 HE1 TRP A 24 13.379 10.669 5.469 1.00 0.00 H new ATOM 0 HE3 TRP A 24 8.468 10.499 3.219 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 12.873 8.222 4.119 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 8.960 8.210 2.383 1.00 0.00 H new ATOM 0 HH2 TRP A 24 11.074 7.075 2.792 1.00 0.00 H new ATOM 344 N LYS A 25 6.834 14.006 3.276 1.00 0.00 N ATOM 345 CA LYS A 25 5.586 14.750 3.228 1.00 0.00 C ATOM 346 C LYS A 25 4.553 14.062 4.122 1.00 0.00 C ATOM 347 O LYS A 25 4.134 12.939 3.843 1.00 0.00 O ATOM 348 CB LYS A 25 5.125 14.929 1.781 1.00 0.00 C ATOM 349 CG LYS A 25 5.223 16.395 1.352 1.00 0.00 C ATOM 350 CD LYS A 25 4.493 16.628 0.027 1.00 0.00 C ATOM 351 CE LYS A 25 4.859 17.989 -0.568 1.00 0.00 C ATOM 352 NZ LYS A 25 4.146 18.205 -1.846 1.00 0.00 N ATOM 0 H LYS A 25 6.730 12.994 3.208 1.00 0.00 H new ATOM 0 HA LYS A 25 5.727 15.757 3.620 1.00 0.00 H new ATOM 0 HB2 LYS A 25 5.736 14.312 1.122 1.00 0.00 H new ATOM 0 HB3 LYS A 25 4.096 14.584 1.678 1.00 0.00 H new ATOM 0 HG2 LYS A 25 4.794 17.033 2.125 1.00 0.00 H new ATOM 0 HG3 LYS A 25 6.270 16.678 1.249 1.00 0.00 H new ATOM 0 HD2 LYS A 25 4.750 15.838 -0.678 1.00 0.00 H new ATOM 0 HD3 LYS A 25 3.416 16.574 0.187 1.00 0.00 H new ATOM 0 HE2 LYS A 25 4.603 18.781 0.136 1.00 0.00 H new ATOM 0 HE3 LYS A 25 5.935 18.043 -0.732 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 4.406 19.133 -2.236 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 4.410 17.459 -2.521 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 3.120 18.174 -1.680 1.00 0.00 H new ATOM 366 N HIS A 26 4.171 14.764 5.179 1.00 0.00 N ATOM 367 CA HIS A 26 3.194 14.235 6.116 1.00 0.00 C ATOM 368 C HIS A 26 1.786 14.414 5.544 1.00 0.00 C ATOM 369 O HIS A 26 1.279 15.532 5.472 1.00 0.00 O ATOM 370 CB HIS A 26 3.360 14.877 7.494 1.00 0.00 C ATOM 371 CG HIS A 26 2.355 14.404 8.517 1.00 0.00 C ATOM 372 ND1 HIS A 26 2.003 15.155 9.625 1.00 0.00 N ATOM 373 CD2 HIS A 26 1.630 13.251 8.588 1.00 0.00 C ATOM 374 CE1 HIS A 26 1.107 14.474 10.325 1.00 0.00 C ATOM 375 NE2 HIS A 26 0.878 13.294 9.680 1.00 0.00 N ATOM 0 H HIS A 26 4.520 15.695 5.407 1.00 0.00 H new ATOM 0 HA HIS A 26 3.359 13.167 6.255 1.00 0.00 H new ATOM 0 HB2 HIS A 26 4.364 14.668 7.862 1.00 0.00 H new ATOM 0 HB3 HIS A 26 3.277 15.959 7.392 1.00 0.00 H new ATOM 0 HD2 HIS A 26 1.663 12.440 7.876 1.00 0.00 H new ATOM 0 HE1 HIS A 26 0.640 14.796 11.244 1.00 0.00 H new ATOM 0 HE2 HIS A 26 0.234 12.565 9.987 1.00 0.00 H new ATOM 383 N LEU A 27 1.194 13.295 5.153 1.00 0.00 N ATOM 384 CA LEU A 27 -0.146 13.314 4.591 1.00 0.00 C ATOM 385 C LEU A 27 -0.923 12.095 5.093 1.00 0.00 C ATOM 386 O LEU A 27 -0.335 11.159 5.632 1.00 0.00 O ATOM 387 CB LEU A 27 -0.085 13.418 3.066 1.00 0.00 C ATOM 388 CG LEU A 27 0.218 14.807 2.500 1.00 0.00 C ATOM 389 CD1 LEU A 27 1.128 14.713 1.273 1.00 0.00 C ATOM 390 CD2 LEU A 27 -1.074 15.569 2.197 1.00 0.00 C ATOM 0 H LEU A 27 1.618 12.369 5.214 1.00 0.00 H new ATOM 0 HA LEU A 27 -0.687 14.198 4.927 1.00 0.00 H new ATOM 0 HB2 LEU A 27 0.676 12.726 2.705 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -1.039 13.082 2.660 1.00 0.00 H new ATOM 0 HG LEU A 27 0.757 15.374 3.258 1.00 0.00 H new ATOM 0 HD11 LEU A 27 1.328 15.714 0.891 1.00 0.00 H new ATOM 0 HD12 LEU A 27 2.068 14.237 1.553 1.00 0.00 H new ATOM 0 HD13 LEU A 27 0.637 14.121 0.501 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -0.831 16.553 1.796 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -1.661 15.014 1.465 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -1.652 15.684 3.114 1.00 0.00 H new ATOM 402 N TRP A 28 -2.232 12.147 4.899 1.00 0.00 N ATOM 403 CA TRP A 28 -3.096 11.059 5.326 1.00 0.00 C ATOM 404 C TRP A 28 -3.459 10.231 4.092 1.00 0.00 C ATOM 405 O TRP A 28 -3.688 10.782 3.016 1.00 0.00 O ATOM 406 CB TRP A 28 -4.322 11.592 6.071 1.00 0.00 C ATOM 407 CG TRP A 28 -5.287 10.502 6.540 1.00 0.00 C ATOM 408 CD1 TRP A 28 -6.354 10.011 5.894 1.00 0.00 C ATOM 409 CD2 TRP A 28 -5.231 9.784 7.790 1.00 0.00 C ATOM 410 NE1 TRP A 28 -6.986 9.033 6.634 1.00 0.00 N ATOM 411 CE2 TRP A 28 -6.282 8.890 7.823 1.00 0.00 C ATOM 412 CE3 TRP A 28 -4.322 9.885 8.858 1.00 0.00 C ATOM 413 CZ2 TRP A 28 -6.522 8.029 8.901 1.00 0.00 C ATOM 414 CZ3 TRP A 28 -4.576 9.019 9.927 1.00 0.00 C ATOM 415 CH2 TRP A 28 -5.630 8.113 9.976 1.00 0.00 C ATOM 0 H TRP A 28 -2.716 12.926 4.452 1.00 0.00 H new ATOM 0 HA TRP A 28 -2.581 10.414 6.038 1.00 0.00 H new ATOM 0 HB2 TRP A 28 -3.988 12.164 6.936 1.00 0.00 H new ATOM 0 HB3 TRP A 28 -4.858 12.282 5.420 1.00 0.00 H new ATOM 0 HD1 TRP A 28 -6.678 10.340 4.918 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -7.818 8.511 6.359 1.00 0.00 H new ATOM 0 HE3 TRP A 28 -3.493 10.577 8.853 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -7.351 7.337 8.903 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 -3.907 9.057 10.774 1.00 0.00 H new ATOM 0 HH2 TRP A 28 -5.759 7.477 10.839 1.00 0.00 H new ATOM 426 N PHE A 29 -3.500 8.922 4.289 1.00 0.00 N ATOM 427 CA PHE A 29 -3.831 8.013 3.205 1.00 0.00 C ATOM 428 C PHE A 29 -4.868 6.981 3.652 1.00 0.00 C ATOM 429 O PHE A 29 -4.996 6.699 4.843 1.00 0.00 O ATOM 430 CB PHE A 29 -2.540 7.287 2.820 1.00 0.00 C ATOM 431 CG PHE A 29 -1.460 8.203 2.242 1.00 0.00 C ATOM 432 CD1 PHE A 29 -1.483 8.535 0.923 1.00 0.00 C ATOM 433 CD2 PHE A 29 -0.475 8.685 3.047 1.00 0.00 C ATOM 434 CE1 PHE A 29 -0.480 9.385 0.387 1.00 0.00 C ATOM 435 CE2 PHE A 29 0.528 9.535 2.511 1.00 0.00 C ATOM 436 CZ PHE A 29 0.504 9.867 1.192 1.00 0.00 C ATOM 0 H PHE A 29 -3.310 8.469 5.183 1.00 0.00 H new ATOM 0 HA PHE A 29 -4.250 8.570 2.367 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -2.142 6.784 3.701 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -2.775 6.513 2.089 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -2.264 8.152 0.283 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -0.456 8.421 4.094 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -0.499 9.649 -0.660 1.00 0.00 H new ATOM 0 HE2 PHE A 29 1.310 9.918 3.150 1.00 0.00 H new ATOM 0 HZ PHE A 29 1.267 10.514 0.784 1.00 0.00 H new ATOM 446 N VAL A 30 -5.584 6.445 2.674 1.00 0.00 N ATOM 447 CA VAL A 30 -6.606 5.451 2.952 1.00 0.00 C ATOM 448 C VAL A 30 -6.733 4.508 1.754 1.00 0.00 C ATOM 449 O VAL A 30 -6.442 4.893 0.623 1.00 0.00 O ATOM 450 CB VAL A 30 -7.923 6.141 3.312 1.00 0.00 C ATOM 451 CG1 VAL A 30 -9.094 5.158 3.243 1.00 0.00 C ATOM 452 CG2 VAL A 30 -7.839 6.798 4.691 1.00 0.00 C ATOM 0 H VAL A 30 -5.476 6.681 1.688 1.00 0.00 H new ATOM 0 HA VAL A 30 -6.326 4.846 3.814 1.00 0.00 H new ATOM 0 HB VAL A 30 -8.101 6.926 2.577 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -10.018 5.674 3.503 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -9.174 4.758 2.232 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -8.925 4.341 3.944 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -8.788 7.281 4.922 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -7.626 6.039 5.443 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -7.043 7.543 4.691 1.00 0.00 H new ATOM 462 N ILE A 31 -7.168 3.290 2.044 1.00 0.00 N ATOM 463 CA ILE A 31 -7.337 2.289 1.005 1.00 0.00 C ATOM 464 C ILE A 31 -8.823 1.950 0.866 1.00 0.00 C ATOM 465 O ILE A 31 -9.410 1.340 1.759 1.00 0.00 O ATOM 466 CB ILE A 31 -6.452 1.073 1.284 1.00 0.00 C ATOM 467 CG1 ILE A 31 -4.972 1.420 1.108 1.00 0.00 C ATOM 468 CG2 ILE A 31 -6.868 -0.118 0.418 1.00 0.00 C ATOM 469 CD1 ILE A 31 -4.090 0.191 1.340 1.00 0.00 C ATOM 0 H ILE A 31 -7.408 2.974 2.984 1.00 0.00 H new ATOM 0 HA ILE A 31 -7.008 2.680 0.042 1.00 0.00 H new ATOM 0 HB ILE A 31 -6.593 0.780 2.324 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -4.803 1.809 0.104 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -4.694 2.209 1.807 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -6.223 -0.969 0.636 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -7.903 -0.382 0.635 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -6.775 0.148 -0.635 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -3.043 0.465 1.209 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -4.244 -0.181 2.353 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -4.354 -0.587 0.624 1.00 0.00 H new ATOM 481 N LYS A 32 -9.388 2.359 -0.260 1.00 0.00 N ATOM 482 CA LYS A 32 -10.794 2.107 -0.526 1.00 0.00 C ATOM 483 C LYS A 32 -10.963 1.683 -1.987 1.00 0.00 C ATOM 484 O LYS A 32 -10.307 2.226 -2.874 1.00 0.00 O ATOM 485 CB LYS A 32 -11.640 3.320 -0.136 1.00 0.00 C ATOM 486 CG LYS A 32 -13.019 3.261 -0.795 1.00 0.00 C ATOM 487 CD LYS A 32 -13.921 4.385 -0.280 1.00 0.00 C ATOM 488 CE LYS A 32 -13.780 5.640 -1.144 1.00 0.00 C ATOM 489 NZ LYS A 32 -14.673 5.563 -2.321 1.00 0.00 N ATOM 0 H LYS A 32 -8.898 2.863 -0.999 1.00 0.00 H new ATOM 0 HA LYS A 32 -11.157 1.284 0.090 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -11.752 3.356 0.948 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -11.129 4.235 -0.435 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -12.913 3.342 -1.877 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -13.482 2.296 -0.591 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -14.959 4.053 -0.282 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -13.663 4.619 0.753 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -14.022 6.524 -0.554 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -12.746 5.749 -1.471 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -14.564 6.423 -2.896 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -14.423 4.731 -2.892 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -15.660 5.482 -2.003 1.00 0.00 H new ATOM 503 N ASN A 33 -11.847 0.717 -2.191 1.00 0.00 N ATOM 504 CA ASN A 33 -12.111 0.215 -3.528 1.00 0.00 C ATOM 505 C ASN A 33 -10.788 -0.164 -4.196 1.00 0.00 C ATOM 506 O ASN A 33 -10.685 -0.165 -5.422 1.00 0.00 O ATOM 507 CB ASN A 33 -12.789 1.279 -4.393 1.00 0.00 C ATOM 508 CG ASN A 33 -13.340 0.669 -5.683 1.00 0.00 C ATOM 509 OD1 ASN A 33 -13.271 -0.527 -5.913 1.00 0.00 O ATOM 510 ND2 ASN A 33 -13.889 1.555 -6.509 1.00 0.00 N ATOM 0 H ASN A 33 -12.389 0.269 -1.452 1.00 0.00 H new ATOM 0 HA ASN A 33 -12.769 -0.650 -3.439 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -13.599 1.746 -3.833 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -12.074 2.065 -4.635 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -14.285 1.247 -7.397 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -13.914 2.542 -6.255 1.00 0.00 H new ATOM 517 N LYS A 34 -9.808 -0.477 -3.361 1.00 0.00 N ATOM 518 CA LYS A 34 -8.496 -0.857 -3.855 1.00 0.00 C ATOM 519 C LYS A 34 -7.825 0.360 -4.496 1.00 0.00 C ATOM 520 O LYS A 34 -7.032 0.218 -5.426 1.00 0.00 O ATOM 521 CB LYS A 34 -8.604 -2.063 -4.790 1.00 0.00 C ATOM 522 CG LYS A 34 -7.948 -3.298 -4.170 1.00 0.00 C ATOM 523 CD LYS A 34 -8.757 -4.560 -4.476 1.00 0.00 C ATOM 524 CE LYS A 34 -7.861 -5.801 -4.470 1.00 0.00 C ATOM 525 NZ LYS A 34 -8.681 -7.032 -4.451 1.00 0.00 N ATOM 0 H LYS A 34 -9.897 -0.475 -2.345 1.00 0.00 H new ATOM 0 HA LYS A 34 -7.857 -1.177 -3.032 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -9.653 -2.271 -5.001 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -8.127 -1.833 -5.743 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -6.935 -3.409 -4.556 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -7.865 -3.167 -3.091 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -9.550 -4.676 -3.737 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -9.239 -4.460 -5.448 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -7.220 -5.798 -5.351 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -7.206 -5.780 -3.599 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -8.058 -7.864 -4.447 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -9.275 -7.040 -3.597 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -9.288 -7.058 -5.295 1.00 0.00 H new ATOM 539 N VAL A 35 -8.168 1.528 -3.974 1.00 0.00 N ATOM 540 CA VAL A 35 -7.609 2.769 -4.483 1.00 0.00 C ATOM 541 C VAL A 35 -6.908 3.513 -3.345 1.00 0.00 C ATOM 542 O VAL A 35 -7.426 3.581 -2.232 1.00 0.00 O ATOM 543 CB VAL A 35 -8.704 3.599 -5.155 1.00 0.00 C ATOM 544 CG1 VAL A 35 -8.147 4.928 -5.670 1.00 0.00 C ATOM 545 CG2 VAL A 35 -9.375 2.812 -6.282 1.00 0.00 C ATOM 0 H VAL A 35 -8.826 1.641 -3.203 1.00 0.00 H new ATOM 0 HA VAL A 35 -6.859 2.565 -5.247 1.00 0.00 H new ATOM 0 HB VAL A 35 -9.463 3.822 -4.405 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -8.946 5.499 -6.143 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -7.738 5.499 -4.836 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -7.359 4.735 -6.398 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -10.149 3.425 -6.743 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -8.631 2.544 -7.032 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -9.824 1.906 -5.876 1.00 0.00 H new ATOM 555 N LEU A 36 -5.740 4.051 -3.663 1.00 0.00 N ATOM 556 CA LEU A 36 -4.963 4.788 -2.681 1.00 0.00 C ATOM 557 C LEU A 36 -5.322 6.273 -2.762 1.00 0.00 C ATOM 558 O LEU A 36 -4.805 6.995 -3.612 1.00 0.00 O ATOM 559 CB LEU A 36 -3.469 4.506 -2.859 1.00 0.00 C ATOM 560 CG LEU A 36 -2.531 5.220 -1.884 1.00 0.00 C ATOM 561 CD1 LEU A 36 -2.454 6.716 -2.193 1.00 0.00 C ATOM 562 CD2 LEU A 36 -2.943 4.954 -0.434 1.00 0.00 C ATOM 0 H LEU A 36 -5.313 3.991 -4.587 1.00 0.00 H new ATOM 0 HA LEU A 36 -5.209 4.455 -1.673 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -3.309 3.432 -2.766 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -3.185 4.784 -3.874 1.00 0.00 H new ATOM 0 HG LEU A 36 -1.528 4.813 -2.014 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -1.781 7.200 -1.485 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -2.079 6.859 -3.206 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -3.447 7.157 -2.108 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -2.260 5.473 0.239 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -3.958 5.317 -0.272 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -2.904 3.883 -0.235 1.00 0.00 H new ATOM 574 N TYR A 37 -6.207 6.684 -1.865 1.00 0.00 N ATOM 575 CA TYR A 37 -6.642 8.070 -1.824 1.00 0.00 C ATOM 576 C TYR A 37 -5.679 8.922 -0.995 1.00 0.00 C ATOM 577 O TYR A 37 -5.048 8.425 -0.063 1.00 0.00 O ATOM 578 CB TYR A 37 -8.012 8.062 -1.143 1.00 0.00 C ATOM 579 CG TYR A 37 -9.155 7.602 -2.051 1.00 0.00 C ATOM 580 CD1 TYR A 37 -9.688 8.469 -2.982 1.00 0.00 C ATOM 581 CD2 TYR A 37 -9.652 6.319 -1.938 1.00 0.00 C ATOM 582 CE1 TYR A 37 -10.764 8.036 -3.836 1.00 0.00 C ATOM 583 CE2 TYR A 37 -10.727 5.886 -2.792 1.00 0.00 C ATOM 584 CZ TYR A 37 -11.230 6.766 -3.699 1.00 0.00 C ATOM 585 OH TYR A 37 -12.246 6.357 -4.505 1.00 0.00 O ATOM 0 H TYR A 37 -6.634 6.082 -1.161 1.00 0.00 H new ATOM 0 HA TYR A 37 -6.677 8.491 -2.829 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -7.969 7.410 -0.271 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -8.232 9.066 -0.780 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -9.299 9.472 -3.071 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -9.234 5.640 -1.209 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -11.191 8.705 -4.569 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -11.125 4.885 -2.714 1.00 0.00 H new ATOM 0 HH TYR A 37 -12.475 5.427 -4.296 1.00 0.00 H new ATOM 595 N THR A 38 -5.596 10.192 -1.363 1.00 0.00 N ATOM 596 CA THR A 38 -4.721 11.119 -0.665 1.00 0.00 C ATOM 597 C THR A 38 -5.541 12.082 0.195 1.00 0.00 C ATOM 598 O THR A 38 -6.648 12.466 -0.180 1.00 0.00 O ATOM 599 CB THR A 38 -3.852 11.824 -1.708 1.00 0.00 C ATOM 600 OG1 THR A 38 -3.008 10.793 -2.212 1.00 0.00 O ATOM 601 CG2 THR A 38 -2.881 12.826 -1.079 1.00 0.00 C ATOM 0 H THR A 38 -6.121 10.601 -2.136 1.00 0.00 H new ATOM 0 HA THR A 38 -4.062 10.596 0.028 1.00 0.00 H new ATOM 0 HB THR A 38 -4.491 12.338 -2.425 1.00 0.00 H new ATOM 0 HG1 THR A 38 -2.412 11.163 -2.896 1.00 0.00 H new ATOM 0 HG21 THR A 38 -2.288 13.299 -1.862 1.00 0.00 H new ATOM 0 HG22 THR A 38 -3.443 13.588 -0.540 1.00 0.00 H new ATOM 0 HG23 THR A 38 -2.219 12.306 -0.387 1.00 0.00 H new ATOM 609 N TYR A 39 -4.967 12.446 1.332 1.00 0.00 N ATOM 610 CA TYR A 39 -5.631 13.357 2.248 1.00 0.00 C ATOM 611 C TYR A 39 -4.618 14.269 2.944 1.00 0.00 C ATOM 612 O TYR A 39 -3.437 14.268 2.600 1.00 0.00 O ATOM 613 CB TYR A 39 -6.313 12.477 3.298 1.00 0.00 C ATOM 614 CG TYR A 39 -7.574 11.773 2.795 1.00 0.00 C ATOM 615 CD1 TYR A 39 -8.734 12.493 2.596 1.00 0.00 C ATOM 616 CD2 TYR A 39 -7.551 10.417 2.539 1.00 0.00 C ATOM 617 CE1 TYR A 39 -9.921 11.829 2.123 1.00 0.00 C ATOM 618 CE2 TYR A 39 -8.738 9.753 2.066 1.00 0.00 C ATOM 619 CZ TYR A 39 -9.865 10.492 1.881 1.00 0.00 C ATOM 620 OH TYR A 39 -10.986 9.866 1.434 1.00 0.00 O ATOM 0 H TYR A 39 -4.049 12.126 1.640 1.00 0.00 H new ATOM 0 HA TYR A 39 -6.337 13.993 1.713 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -5.603 11.726 3.644 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -6.572 13.092 4.160 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -8.752 13.554 2.795 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -6.643 9.854 2.693 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -10.836 12.381 1.964 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -8.734 8.692 1.863 1.00 0.00 H new ATOM 0 HH TYR A 39 -10.798 8.913 1.303 1.00 0.00 H new ATOM 630 N ALA A 40 -5.118 15.026 3.910 1.00 0.00 N ATOM 631 CA ALA A 40 -4.272 15.941 4.658 1.00 0.00 C ATOM 632 C ALA A 40 -4.540 15.769 6.154 1.00 0.00 C ATOM 633 O ALA A 40 -3.606 15.687 6.950 1.00 0.00 O ATOM 634 CB ALA A 40 -4.522 17.373 4.181 1.00 0.00 C ATOM 0 H ALA A 40 -6.098 15.024 4.192 1.00 0.00 H new ATOM 0 HA ALA A 40 -3.219 15.719 4.485 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -3.888 18.059 4.742 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -4.288 17.449 3.119 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -5.568 17.633 4.342 1.00 0.00 H new ATOM 640 N ALA A 41 -5.820 15.721 6.492 1.00 0.00 N ATOM 641 CA ALA A 41 -6.223 15.560 7.879 1.00 0.00 C ATOM 642 C ALA A 41 -7.236 14.418 7.982 1.00 0.00 C ATOM 643 O ALA A 41 -8.009 14.183 7.056 1.00 0.00 O ATOM 644 CB ALA A 41 -6.782 16.884 8.404 1.00 0.00 C ATOM 0 H ALA A 41 -6.592 15.791 5.829 1.00 0.00 H new ATOM 0 HA ALA A 41 -5.367 15.298 8.500 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -7.085 16.764 9.444 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -6.015 17.655 8.336 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -7.645 17.177 7.806 1.00 0.00 H new ATOM 688 N VAL A 45 -12.437 16.860 4.488 1.00 0.00 N ATOM 689 CA VAL A 45 -13.754 16.991 3.889 1.00 0.00 C ATOM 690 C VAL A 45 -13.752 16.325 2.512 1.00 0.00 C ATOM 691 O VAL A 45 -14.808 15.975 1.987 1.00 0.00 O ATOM 692 CB VAL A 45 -14.162 18.465 3.840 1.00 0.00 C ATOM 693 CG1 VAL A 45 -15.111 18.810 4.990 1.00 0.00 C ATOM 694 CG2 VAL A 45 -12.932 19.375 3.852 1.00 0.00 C ATOM 0 HA VAL A 45 -14.502 16.480 4.496 1.00 0.00 H new ATOM 0 HB VAL A 45 -14.695 18.634 2.904 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -15.385 19.863 4.932 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -16.009 18.196 4.917 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -14.615 18.616 5.941 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -13.250 20.417 3.816 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -12.360 19.201 4.763 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -12.309 19.156 2.985 1.00 0.00 H new ATOM 704 N ALA A 46 -12.555 16.171 1.966 1.00 0.00 N ATOM 705 CA ALA A 46 -12.402 15.553 0.660 1.00 0.00 C ATOM 706 C ALA A 46 -10.935 15.173 0.449 1.00 0.00 C ATOM 707 O ALA A 46 -10.037 15.855 0.939 1.00 0.00 O ATOM 708 CB ALA A 46 -12.918 16.507 -0.420 1.00 0.00 C ATOM 0 H ALA A 46 -11.682 16.464 2.404 1.00 0.00 H new ATOM 0 HA ALA A 46 -12.992 14.639 0.597 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -12.803 16.044 -1.400 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -13.971 16.723 -0.242 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -12.347 17.435 -0.389 1.00 0.00 H new ATOM 714 N ALA A 47 -10.739 14.084 -0.280 1.00 0.00 N ATOM 715 CA ALA A 47 -9.396 13.604 -0.562 1.00 0.00 C ATOM 716 C ALA A 47 -8.697 14.584 -1.506 1.00 0.00 C ATOM 717 O ALA A 47 -9.313 15.104 -2.435 1.00 0.00 O ATOM 718 CB ALA A 47 -9.470 12.190 -1.139 1.00 0.00 C ATOM 0 H ALA A 47 -11.487 13.520 -0.684 1.00 0.00 H new ATOM 0 HA ALA A 47 -8.807 13.551 0.353 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -8.463 11.830 -1.350 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -9.948 11.527 -0.418 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -10.052 12.203 -2.061 1.00 0.00 H new ATOM 724 N LEU A 48 -7.419 14.807 -1.236 1.00 0.00 N ATOM 725 CA LEU A 48 -6.629 15.715 -2.050 1.00 0.00 C ATOM 726 C LEU A 48 -6.450 15.116 -3.447 1.00 0.00 C ATOM 727 O LEU A 48 -6.519 15.831 -4.446 1.00 0.00 O ATOM 728 CB LEU A 48 -5.310 16.052 -1.352 1.00 0.00 C ATOM 729 CG LEU A 48 -5.422 16.536 0.095 1.00 0.00 C ATOM 730 CD1 LEU A 48 -4.042 16.844 0.679 1.00 0.00 C ATOM 731 CD2 LEU A 48 -6.369 17.733 0.201 1.00 0.00 C ATOM 0 H LEU A 48 -6.911 14.374 -0.465 1.00 0.00 H new ATOM 0 HA LEU A 48 -7.149 16.665 -2.174 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -4.676 15.166 -1.370 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -4.800 16.821 -1.933 1.00 0.00 H new ATOM 0 HG LEU A 48 -5.852 15.731 0.692 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -4.151 17.186 1.708 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -3.429 15.943 0.659 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -3.562 17.623 0.087 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -6.431 18.057 1.240 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -5.992 18.551 -0.413 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -7.360 17.445 -0.149 1.00 0.00 H new ATOM 743 N GLU A 49 -6.224 13.811 -3.472 1.00 0.00 N ATOM 744 CA GLU A 49 -6.034 13.108 -4.729 1.00 0.00 C ATOM 745 C GLU A 49 -6.514 11.661 -4.606 1.00 0.00 C ATOM 746 O GLU A 49 -6.749 11.173 -3.501 1.00 0.00 O ATOM 747 CB GLU A 49 -4.572 13.165 -5.174 1.00 0.00 C ATOM 748 CG GLU A 49 -4.239 14.524 -5.792 1.00 0.00 C ATOM 749 CD GLU A 49 -5.121 14.803 -7.010 1.00 0.00 C ATOM 750 OE1 GLU A 49 -5.379 13.835 -7.758 1.00 0.00 O ATOM 751 OE2 GLU A 49 -5.517 15.979 -7.167 1.00 0.00 O ATOM 0 H GLU A 49 -6.168 13.222 -2.641 1.00 0.00 H new ATOM 0 HA GLU A 49 -6.631 13.604 -5.494 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -3.921 12.981 -4.320 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -4.378 12.375 -5.899 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -4.379 15.309 -5.049 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -3.190 14.547 -6.086 1.00 0.00 H new ATOM 758 N SER A 50 -6.646 11.014 -5.755 1.00 0.00 N ATOM 759 CA SER A 50 -7.094 9.632 -5.789 1.00 0.00 C ATOM 760 C SER A 50 -6.337 8.864 -6.875 1.00 0.00 C ATOM 761 O SER A 50 -6.284 9.298 -8.025 1.00 0.00 O ATOM 762 CB SER A 50 -8.602 9.548 -6.033 1.00 0.00 C ATOM 763 OG SER A 50 -9.087 10.667 -6.768 1.00 0.00 O ATOM 0 H SER A 50 -6.450 11.421 -6.669 1.00 0.00 H new ATOM 0 HA SER A 50 -6.884 9.180 -4.820 1.00 0.00 H new ATOM 0 HB2 SER A 50 -8.831 8.631 -6.576 1.00 0.00 H new ATOM 0 HB3 SER A 50 -9.121 9.490 -5.076 1.00 0.00 H new ATOM 0 HG SER A 50 -10.053 10.575 -6.904 1.00 0.00 H new ATOM 769 N GLN A 51 -5.771 7.736 -6.471 1.00 0.00 N ATOM 770 CA GLN A 51 -5.019 6.904 -7.395 1.00 0.00 C ATOM 771 C GLN A 51 -5.297 5.424 -7.122 1.00 0.00 C ATOM 772 O GLN A 51 -5.077 4.942 -6.013 1.00 0.00 O ATOM 773 CB GLN A 51 -3.522 7.205 -7.311 1.00 0.00 C ATOM 774 CG GLN A 51 -3.139 8.352 -8.249 1.00 0.00 C ATOM 775 CD GLN A 51 -2.610 7.817 -9.581 1.00 0.00 C ATOM 776 OE1 GLN A 51 -3.558 7.370 -10.400 1.00 0.00 O flip ATOM 777 NE2 GLN A 51 -1.419 7.812 -9.848 1.00 0.00 N flip ATOM 0 H GLN A 51 -5.818 7.379 -5.517 1.00 0.00 H new ATOM 0 HA GLN A 51 -5.345 7.135 -8.409 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -3.257 7.465 -6.286 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -2.953 6.312 -7.571 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -4.007 8.987 -8.427 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -2.380 8.975 -7.776 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -0.744 8.170 -9.173 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -1.099 7.449 -10.746 1.00 0.00 H new ATOM 786 N PRO A 52 -5.790 4.727 -8.181 1.00 0.00 N ATOM 787 CA PRO A 52 -6.100 3.312 -8.067 1.00 0.00 C ATOM 788 C PRO A 52 -4.823 2.469 -8.062 1.00 0.00 C ATOM 789 O PRO A 52 -3.845 2.815 -8.722 1.00 0.00 O ATOM 790 CB PRO A 52 -7.006 3.011 -9.250 1.00 0.00 C ATOM 791 CG PRO A 52 -6.795 4.148 -10.237 1.00 0.00 C ATOM 792 CD PRO A 52 -6.063 5.265 -9.511 1.00 0.00 C ATOM 0 HA PRO A 52 -6.597 3.065 -7.129 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -6.754 2.051 -9.701 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -8.049 2.953 -8.938 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -6.216 3.806 -11.095 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -7.752 4.504 -10.620 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -5.141 5.534 -10.026 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -6.672 6.167 -9.456 1.00 0.00 H new ATOM 800 N LEU A 53 -4.874 1.380 -7.309 1.00 0.00 N ATOM 801 CA LEU A 53 -3.734 0.485 -7.209 1.00 0.00 C ATOM 802 C LEU A 53 -3.867 -0.622 -8.256 1.00 0.00 C ATOM 803 O LEU A 53 -3.499 -1.768 -8.003 1.00 0.00 O ATOM 804 CB LEU A 53 -3.586 -0.036 -5.779 1.00 0.00 C ATOM 805 CG LEU A 53 -3.675 1.014 -4.669 1.00 0.00 C ATOM 806 CD1 LEU A 53 -4.025 0.367 -3.328 1.00 0.00 C ATOM 807 CD2 LEU A 53 -2.389 1.839 -4.589 1.00 0.00 C ATOM 0 H LEU A 53 -5.687 1.097 -6.762 1.00 0.00 H new ATOM 0 HA LEU A 53 -2.809 1.020 -7.426 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -4.358 -0.786 -5.605 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -2.625 -0.543 -5.696 1.00 0.00 H new ATOM 0 HG LEU A 53 -4.484 1.702 -4.915 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -4.082 1.135 -2.557 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -4.987 -0.139 -3.408 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -3.256 -0.358 -3.062 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -2.479 2.577 -3.792 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -1.546 1.180 -4.379 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -2.224 2.348 -5.538 1.00 0.00 H new ATOM 819 N LEU A 54 -4.395 -0.241 -9.411 1.00 0.00 N ATOM 820 CA LEU A 54 -4.581 -1.188 -10.497 1.00 0.00 C ATOM 821 C LEU A 54 -3.361 -1.145 -11.419 1.00 0.00 C ATOM 822 O LEU A 54 -3.207 -0.216 -12.210 1.00 0.00 O ATOM 823 CB LEU A 54 -5.905 -0.923 -11.217 1.00 0.00 C ATOM 824 CG LEU A 54 -6.508 -2.112 -11.969 1.00 0.00 C ATOM 825 CD1 LEU A 54 -5.414 -3.060 -12.464 1.00 0.00 C ATOM 826 CD2 LEU A 54 -7.547 -2.834 -11.109 1.00 0.00 C ATOM 0 H LEU A 54 -4.700 0.710 -9.618 1.00 0.00 H new ATOM 0 HA LEU A 54 -4.653 -2.204 -10.109 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -6.632 -0.576 -10.483 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -5.754 -0.109 -11.926 1.00 0.00 H new ATOM 0 HG LEU A 54 -7.027 -1.732 -12.849 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -5.870 -3.896 -12.995 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -4.745 -2.524 -13.137 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -4.847 -3.437 -11.613 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -7.960 -3.675 -11.667 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -7.074 -3.200 -10.198 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -8.348 -2.142 -10.849 1.00 0.00 H new ATOM 838 N GLY A 55 -2.524 -2.164 -11.287 1.00 0.00 N ATOM 839 CA GLY A 55 -1.322 -2.255 -12.099 1.00 0.00 C ATOM 840 C GLY A 55 -0.086 -1.842 -11.297 1.00 0.00 C ATOM 841 O GLY A 55 1.037 -2.191 -11.657 1.00 0.00 O ATOM 0 H GLY A 55 -2.654 -2.933 -10.630 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -1.200 -3.276 -12.462 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -1.422 -1.615 -12.976 1.00 0.00 H new ATOM 845 N PHE A 56 -0.335 -1.105 -10.224 1.00 0.00 N ATOM 846 CA PHE A 56 0.743 -0.641 -9.368 1.00 0.00 C ATOM 847 C PHE A 56 1.406 -1.811 -8.638 1.00 0.00 C ATOM 848 O PHE A 56 0.968 -2.953 -8.763 1.00 0.00 O ATOM 849 CB PHE A 56 0.121 0.302 -8.337 1.00 0.00 C ATOM 850 CG PHE A 56 -0.058 1.738 -8.834 1.00 0.00 C ATOM 851 CD1 PHE A 56 -1.204 2.100 -9.470 1.00 0.00 C ATOM 852 CD2 PHE A 56 0.930 2.653 -8.640 1.00 0.00 C ATOM 853 CE1 PHE A 56 -1.370 3.432 -9.931 1.00 0.00 C ATOM 854 CE2 PHE A 56 0.764 3.985 -9.101 1.00 0.00 C ATOM 855 CZ PHE A 56 -0.382 4.347 -9.737 1.00 0.00 C ATOM 0 H PHE A 56 -1.268 -0.818 -9.928 1.00 0.00 H new ATOM 0 HA PHE A 56 1.505 -0.143 -9.967 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -0.851 -0.092 -8.039 1.00 0.00 H new ATOM 0 HB3 PHE A 56 0.748 0.313 -7.445 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -1.988 1.374 -9.624 1.00 0.00 H new ATOM 0 HD2 PHE A 56 1.841 2.366 -8.135 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -2.281 3.719 -10.436 1.00 0.00 H new ATOM 0 HE2 PHE A 56 1.548 4.711 -8.947 1.00 0.00 H new ATOM 0 HZ PHE A 56 -0.508 5.361 -10.088 1.00 0.00 H new ATOM 865 N THR A 57 2.451 -1.485 -7.892 1.00 0.00 N ATOM 866 CA THR A 57 3.179 -2.495 -7.142 1.00 0.00 C ATOM 867 C THR A 57 3.790 -1.884 -5.879 1.00 0.00 C ATOM 868 O THR A 57 3.770 -0.667 -5.702 1.00 0.00 O ATOM 869 CB THR A 57 4.215 -3.122 -8.076 1.00 0.00 C ATOM 870 OG1 THR A 57 3.497 -3.356 -9.284 1.00 0.00 O ATOM 871 CG2 THR A 57 4.644 -4.519 -7.621 1.00 0.00 C ATOM 0 H THR A 57 2.811 -0.536 -7.791 1.00 0.00 H new ATOM 0 HA THR A 57 2.514 -3.285 -6.794 1.00 0.00 H new ATOM 0 HB THR A 57 5.090 -2.474 -8.134 1.00 0.00 H new ATOM 0 HG1 THR A 57 4.095 -3.761 -9.947 1.00 0.00 H new ATOM 0 HG21 THR A 57 5.380 -4.919 -8.318 1.00 0.00 H new ATOM 0 HG22 THR A 57 5.083 -4.458 -6.625 1.00 0.00 H new ATOM 0 HG23 THR A 57 3.775 -5.176 -7.595 1.00 0.00 H new ATOM 879 N VAL A 58 4.317 -2.757 -5.034 1.00 0.00 N ATOM 880 CA VAL A 58 4.933 -2.319 -3.793 1.00 0.00 C ATOM 881 C VAL A 58 6.124 -3.224 -3.472 1.00 0.00 C ATOM 882 O VAL A 58 6.179 -4.367 -3.924 1.00 0.00 O ATOM 883 CB VAL A 58 3.889 -2.285 -2.674 1.00 0.00 C ATOM 884 CG1 VAL A 58 4.462 -2.849 -1.373 1.00 0.00 C ATOM 885 CG2 VAL A 58 3.352 -0.867 -2.468 1.00 0.00 C ATOM 0 H VAL A 58 4.330 -3.766 -5.184 1.00 0.00 H new ATOM 0 HA VAL A 58 5.315 -1.303 -3.894 1.00 0.00 H new ATOM 0 HB VAL A 58 3.054 -2.918 -2.975 1.00 0.00 H new ATOM 0 HG11 VAL A 58 3.700 -2.813 -0.594 1.00 0.00 H new ATOM 0 HG12 VAL A 58 4.773 -3.882 -1.530 1.00 0.00 H new ATOM 0 HG13 VAL A 58 5.322 -2.254 -1.066 1.00 0.00 H new ATOM 0 HG21 VAL A 58 2.612 -0.871 -1.668 1.00 0.00 H new ATOM 0 HG22 VAL A 58 4.173 -0.202 -2.200 1.00 0.00 H new ATOM 0 HG23 VAL A 58 2.888 -0.516 -3.390 1.00 0.00 H new ATOM 895 N THR A 59 7.048 -2.679 -2.694 1.00 0.00 N ATOM 896 CA THR A 59 8.234 -3.423 -2.307 1.00 0.00 C ATOM 897 C THR A 59 8.942 -2.730 -1.141 1.00 0.00 C ATOM 898 O THR A 59 8.826 -1.517 -0.973 1.00 0.00 O ATOM 899 CB THR A 59 9.117 -3.583 -3.546 1.00 0.00 C ATOM 900 OG1 THR A 59 9.886 -4.752 -3.276 1.00 0.00 O ATOM 901 CG2 THR A 59 10.161 -2.471 -3.669 1.00 0.00 C ATOM 0 H THR A 59 6.999 -1.731 -2.321 1.00 0.00 H new ATOM 0 HA THR A 59 7.976 -4.418 -1.944 1.00 0.00 H new ATOM 0 HB THR A 59 8.491 -3.594 -4.438 1.00 0.00 H new ATOM 0 HG1 THR A 59 10.486 -4.930 -4.030 1.00 0.00 H new ATOM 0 HG21 THR A 59 10.761 -2.632 -4.565 1.00 0.00 H new ATOM 0 HG22 THR A 59 9.659 -1.506 -3.738 1.00 0.00 H new ATOM 0 HG23 THR A 59 10.809 -2.481 -2.792 1.00 0.00 H new ATOM 909 N LEU A 60 9.660 -3.530 -0.367 1.00 0.00 N ATOM 910 CA LEU A 60 10.387 -3.008 0.778 1.00 0.00 C ATOM 911 C LEU A 60 11.674 -2.334 0.296 1.00 0.00 C ATOM 912 O LEU A 60 12.291 -2.785 -0.667 1.00 0.00 O ATOM 913 CB LEU A 60 10.621 -4.111 1.812 1.00 0.00 C ATOM 914 CG LEU A 60 10.860 -3.643 3.249 1.00 0.00 C ATOM 915 CD1 LEU A 60 12.282 -3.105 3.422 1.00 0.00 C ATOM 916 CD2 LEU A 60 9.805 -2.620 3.676 1.00 0.00 C ATOM 0 H LEU A 60 9.754 -4.536 -0.510 1.00 0.00 H new ATOM 0 HA LEU A 60 9.798 -2.245 1.287 1.00 0.00 H new ATOM 0 HB2 LEU A 60 9.757 -4.776 1.806 1.00 0.00 H new ATOM 0 HB3 LEU A 60 11.481 -4.702 1.496 1.00 0.00 H new ATOM 0 HG LEU A 60 10.759 -4.505 3.909 1.00 0.00 H new ATOM 0 HD11 LEU A 60 12.425 -2.779 4.452 1.00 0.00 H new ATOM 0 HD12 LEU A 60 13.000 -3.891 3.187 1.00 0.00 H new ATOM 0 HD13 LEU A 60 12.436 -2.261 2.750 1.00 0.00 H new ATOM 0 HD21 LEU A 60 9.998 -2.304 4.701 1.00 0.00 H new ATOM 0 HD22 LEU A 60 9.849 -1.754 3.015 1.00 0.00 H new ATOM 0 HD23 LEU A 60 8.815 -3.072 3.616 1.00 0.00 H new ATOM 928 N VAL A 61 12.039 -1.265 0.988 1.00 0.00 N ATOM 929 CA VAL A 61 13.241 -0.525 0.643 1.00 0.00 C ATOM 930 C VAL A 61 14.157 -0.449 1.866 1.00 0.00 C ATOM 931 O VAL A 61 13.686 -0.274 2.989 1.00 0.00 O ATOM 932 CB VAL A 61 12.866 0.852 0.089 1.00 0.00 C ATOM 933 CG1 VAL A 61 11.821 1.533 0.975 1.00 0.00 C ATOM 934 CG2 VAL A 61 14.106 1.733 -0.072 1.00 0.00 C ATOM 0 H VAL A 61 11.524 -0.893 1.786 1.00 0.00 H new ATOM 0 HA VAL A 61 13.793 -1.038 -0.144 1.00 0.00 H new ATOM 0 HB VAL A 61 12.426 0.708 -0.898 1.00 0.00 H new ATOM 0 HG11 VAL A 61 11.572 2.509 0.559 1.00 0.00 H new ATOM 0 HG12 VAL A 61 10.923 0.917 1.017 1.00 0.00 H new ATOM 0 HG13 VAL A 61 12.223 1.658 1.981 1.00 0.00 H new ATOM 0 HG21 VAL A 61 13.813 2.706 -0.467 1.00 0.00 H new ATOM 0 HG22 VAL A 61 14.587 1.865 0.897 1.00 0.00 H new ATOM 0 HG23 VAL A 61 14.804 1.257 -0.761 1.00 0.00 H new ATOM 1033 N SER A 68 13.263 -1.491 7.617 1.00 0.00 N ATOM 1034 CA SER A 68 12.152 -2.264 7.088 1.00 0.00 C ATOM 1035 C SER A 68 10.827 -1.684 7.587 1.00 0.00 C ATOM 1036 O SER A 68 9.877 -2.424 7.837 1.00 0.00 O ATOM 1037 CB SER A 68 12.269 -3.737 7.483 1.00 0.00 C ATOM 1038 OG SER A 68 11.592 -4.591 6.564 1.00 0.00 O ATOM 0 HA SER A 68 12.181 -2.204 6.000 1.00 0.00 H new ATOM 0 HB2 SER A 68 13.321 -4.017 7.531 1.00 0.00 H new ATOM 0 HB3 SER A 68 11.856 -3.879 8.482 1.00 0.00 H new ATOM 0 HG SER A 68 11.691 -5.523 6.850 1.00 0.00 H new ATOM 1044 N LYS A 69 10.806 -0.366 7.717 1.00 0.00 N ATOM 1045 CA LYS A 69 9.613 0.321 8.182 1.00 0.00 C ATOM 1046 C LYS A 69 9.149 1.309 7.110 1.00 0.00 C ATOM 1047 O LYS A 69 8.219 2.083 7.334 1.00 0.00 O ATOM 1048 CB LYS A 69 9.864 0.967 9.546 1.00 0.00 C ATOM 1049 CG LYS A 69 10.351 -0.069 10.562 1.00 0.00 C ATOM 1050 CD LYS A 69 10.884 0.611 11.825 1.00 0.00 C ATOM 1051 CE LYS A 69 12.212 -0.010 12.262 1.00 0.00 C ATOM 1052 NZ LYS A 69 13.114 1.027 12.810 1.00 0.00 N ATOM 0 H LYS A 69 11.596 0.245 7.508 1.00 0.00 H new ATOM 0 HA LYS A 69 8.800 -0.389 8.336 1.00 0.00 H new ATOM 0 HB2 LYS A 69 10.605 1.760 9.446 1.00 0.00 H new ATOM 0 HB3 LYS A 69 8.946 1.432 9.907 1.00 0.00 H new ATOM 0 HG2 LYS A 69 9.533 -0.740 10.823 1.00 0.00 H new ATOM 0 HG3 LYS A 69 11.135 -0.681 10.116 1.00 0.00 H new ATOM 0 HD2 LYS A 69 11.020 1.676 11.639 1.00 0.00 H new ATOM 0 HD3 LYS A 69 10.153 0.518 12.628 1.00 0.00 H new ATOM 0 HE2 LYS A 69 12.031 -0.777 13.015 1.00 0.00 H new ATOM 0 HE3 LYS A 69 12.687 -0.502 11.413 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 14.011 0.588 13.102 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 13.301 1.745 12.081 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 12.665 1.478 13.633 1.00 0.00 H new ATOM 1066 N VAL A 70 9.818 1.251 5.968 1.00 0.00 N ATOM 1067 CA VAL A 70 9.485 2.132 4.860 1.00 0.00 C ATOM 1068 C VAL A 70 9.478 1.327 3.559 1.00 0.00 C ATOM 1069 O VAL A 70 10.362 0.503 3.330 1.00 0.00 O ATOM 1070 CB VAL A 70 10.453 3.316 4.825 1.00 0.00 C ATOM 1071 CG1 VAL A 70 11.901 2.847 4.977 1.00 0.00 C ATOM 1072 CG2 VAL A 70 10.273 4.133 3.544 1.00 0.00 C ATOM 0 H VAL A 70 10.589 0.608 5.785 1.00 0.00 H new ATOM 0 HA VAL A 70 8.486 2.549 4.990 1.00 0.00 H new ATOM 0 HB VAL A 70 10.221 3.963 5.671 1.00 0.00 H new ATOM 0 HG11 VAL A 70 12.568 3.709 4.949 1.00 0.00 H new ATOM 0 HG12 VAL A 70 12.018 2.329 5.929 1.00 0.00 H new ATOM 0 HG13 VAL A 70 12.151 2.168 4.162 1.00 0.00 H new ATOM 0 HG21 VAL A 70 10.973 4.969 3.544 1.00 0.00 H new ATOM 0 HG22 VAL A 70 10.465 3.499 2.678 1.00 0.00 H new ATOM 0 HG23 VAL A 70 9.253 4.514 3.496 1.00 0.00 H new ATOM 1082 N PHE A 71 8.470 1.593 2.741 1.00 0.00 N ATOM 1083 CA PHE A 71 8.336 0.904 1.469 1.00 0.00 C ATOM 1084 C PHE A 71 8.236 1.901 0.313 1.00 0.00 C ATOM 1085 O PHE A 71 8.236 3.112 0.531 1.00 0.00 O ATOM 1086 CB PHE A 71 7.044 0.088 1.537 1.00 0.00 C ATOM 1087 CG PHE A 71 5.883 0.816 2.217 1.00 0.00 C ATOM 1088 CD1 PHE A 71 5.878 0.974 3.568 1.00 0.00 C ATOM 1089 CD2 PHE A 71 4.856 1.305 1.471 1.00 0.00 C ATOM 1090 CE1 PHE A 71 4.800 1.650 4.199 1.00 0.00 C ATOM 1091 CE2 PHE A 71 3.779 1.981 2.103 1.00 0.00 C ATOM 1092 CZ PHE A 71 3.774 2.139 3.453 1.00 0.00 C ATOM 0 H PHE A 71 7.738 2.277 2.935 1.00 0.00 H new ATOM 0 HA PHE A 71 9.207 0.273 1.294 1.00 0.00 H new ATOM 0 HB2 PHE A 71 6.745 -0.185 0.525 1.00 0.00 H new ATOM 0 HB3 PHE A 71 7.241 -0.841 2.073 1.00 0.00 H new ATOM 0 HD1 PHE A 71 6.693 0.586 4.160 1.00 0.00 H new ATOM 0 HD2 PHE A 71 4.860 1.179 0.398 1.00 0.00 H new ATOM 0 HE1 PHE A 71 4.795 1.776 5.272 1.00 0.00 H new ATOM 0 HE2 PHE A 71 2.964 2.370 1.511 1.00 0.00 H new ATOM 0 HZ PHE A 71 2.955 2.653 3.933 1.00 0.00 H new ATOM 1102 N GLN A 72 8.153 1.356 -0.891 1.00 0.00 N ATOM 1103 CA GLN A 72 8.052 2.182 -2.082 1.00 0.00 C ATOM 1104 C GLN A 72 6.895 1.706 -2.963 1.00 0.00 C ATOM 1105 O GLN A 72 6.640 0.507 -3.063 1.00 0.00 O ATOM 1106 CB GLN A 72 9.369 2.185 -2.860 1.00 0.00 C ATOM 1107 CG GLN A 72 10.444 2.981 -2.117 1.00 0.00 C ATOM 1108 CD GLN A 72 11.726 3.079 -2.946 1.00 0.00 C ATOM 1109 OE1 GLN A 72 12.272 4.147 -3.167 1.00 0.00 O ATOM 1110 NE2 GLN A 72 12.173 1.909 -3.392 1.00 0.00 N ATOM 0 H GLN A 72 8.154 0.351 -1.068 1.00 0.00 H new ATOM 0 HA GLN A 72 7.848 3.207 -1.773 1.00 0.00 H new ATOM 0 HB2 GLN A 72 9.709 1.160 -3.010 1.00 0.00 H new ATOM 0 HB3 GLN A 72 9.210 2.616 -3.848 1.00 0.00 H new ATOM 0 HG2 GLN A 72 10.073 3.982 -1.896 1.00 0.00 H new ATOM 0 HG3 GLN A 72 10.660 2.503 -1.162 1.00 0.00 H new ATOM 0 HE21 GLN A 72 11.667 1.052 -3.170 1.00 0.00 H new ATOM 0 HE22 GLN A 72 13.022 1.869 -3.956 1.00 0.00 H new ATOM 1119 N LEU A 73 6.227 2.669 -3.579 1.00 0.00 N ATOM 1120 CA LEU A 73 5.104 2.363 -4.449 1.00 0.00 C ATOM 1121 C LEU A 73 5.590 2.294 -5.898 1.00 0.00 C ATOM 1122 O LEU A 73 5.798 3.325 -6.536 1.00 0.00 O ATOM 1123 CB LEU A 73 3.967 3.363 -4.228 1.00 0.00 C ATOM 1124 CG LEU A 73 2.692 3.118 -5.037 1.00 0.00 C ATOM 1125 CD1 LEU A 73 2.014 1.814 -4.611 1.00 0.00 C ATOM 1126 CD2 LEU A 73 1.743 4.315 -4.941 1.00 0.00 C ATOM 0 H LEU A 73 6.442 3.662 -3.493 1.00 0.00 H new ATOM 0 HA LEU A 73 4.689 1.385 -4.205 1.00 0.00 H new ATOM 0 HB2 LEU A 73 3.708 3.360 -3.169 1.00 0.00 H new ATOM 0 HB3 LEU A 73 4.337 4.361 -4.463 1.00 0.00 H new ATOM 0 HG LEU A 73 2.969 3.009 -6.086 1.00 0.00 H new ATOM 0 HD11 LEU A 73 1.110 1.664 -5.202 1.00 0.00 H new ATOM 0 HD12 LEU A 73 2.696 0.979 -4.773 1.00 0.00 H new ATOM 0 HD13 LEU A 73 1.752 1.868 -3.554 1.00 0.00 H new ATOM 0 HD21 LEU A 73 0.845 4.115 -5.525 1.00 0.00 H new ATOM 0 HD22 LEU A 73 1.469 4.480 -3.899 1.00 0.00 H new ATOM 0 HD23 LEU A 73 2.238 5.204 -5.331 1.00 0.00 H new ATOM 1138 N LEU A 74 5.757 1.070 -6.375 1.00 0.00 N ATOM 1139 CA LEU A 74 6.214 0.853 -7.737 1.00 0.00 C ATOM 1140 C LEU A 74 5.017 0.915 -8.689 1.00 0.00 C ATOM 1141 O LEU A 74 3.905 0.542 -8.318 1.00 0.00 O ATOM 1142 CB LEU A 74 7.011 -0.449 -7.834 1.00 0.00 C ATOM 1143 CG LEU A 74 8.443 -0.401 -7.300 1.00 0.00 C ATOM 1144 CD1 LEU A 74 8.683 -1.509 -6.273 1.00 0.00 C ATOM 1145 CD2 LEU A 74 9.457 -0.451 -8.445 1.00 0.00 C ATOM 0 H LEU A 74 5.584 0.217 -5.842 1.00 0.00 H new ATOM 0 HA LEU A 74 6.902 1.643 -8.038 1.00 0.00 H new ATOM 0 HB2 LEU A 74 6.469 -1.225 -7.293 1.00 0.00 H new ATOM 0 HB3 LEU A 74 7.045 -0.754 -8.880 1.00 0.00 H new ATOM 0 HG LEU A 74 8.584 0.550 -6.786 1.00 0.00 H new ATOM 0 HD11 LEU A 74 9.709 -1.452 -5.909 1.00 0.00 H new ATOM 0 HD12 LEU A 74 7.994 -1.386 -5.437 1.00 0.00 H new ATOM 0 HD13 LEU A 74 8.517 -2.480 -6.740 1.00 0.00 H new ATOM 0 HD21 LEU A 74 10.468 -0.415 -8.038 1.00 0.00 H new ATOM 0 HD22 LEU A 74 9.325 -1.375 -9.008 1.00 0.00 H new ATOM 0 HD23 LEU A 74 9.302 0.402 -9.106 1.00 0.00 H new ATOM 1157 N HIS A 75 5.286 1.389 -9.897 1.00 0.00 N ATOM 1158 CA HIS A 75 4.245 1.504 -10.904 1.00 0.00 C ATOM 1159 C HIS A 75 4.782 1.025 -12.254 1.00 0.00 C ATOM 1160 O HIS A 75 5.427 1.786 -12.975 1.00 0.00 O ATOM 1161 CB HIS A 75 3.696 2.931 -10.956 1.00 0.00 C ATOM 1162 CG HIS A 75 2.672 3.155 -12.043 1.00 0.00 C ATOM 1163 ND1 HIS A 75 2.901 3.979 -13.131 1.00 0.00 N ATOM 1164 CD2 HIS A 75 1.413 2.653 -12.199 1.00 0.00 C ATOM 1165 CE1 HIS A 75 1.822 3.967 -13.900 1.00 0.00 C ATOM 1166 NE2 HIS A 75 0.901 3.146 -13.320 1.00 0.00 N ATOM 0 H HIS A 75 6.210 1.698 -10.201 1.00 0.00 H new ATOM 0 HA HIS A 75 3.404 0.863 -10.639 1.00 0.00 H new ATOM 0 HB2 HIS A 75 3.247 3.172 -9.993 1.00 0.00 H new ATOM 0 HB3 HIS A 75 4.525 3.623 -11.103 1.00 0.00 H new ATOM 0 HD2 HIS A 75 0.917 1.970 -11.525 1.00 0.00 H new ATOM 0 HE1 HIS A 75 1.695 4.512 -14.824 1.00 0.00 H new ATOM 0 HE2 HIS A 75 -0.029 2.944 -13.687 1.00 0.00 H new ATOM 1174 N LYS A 76 4.497 -0.233 -12.556 1.00 0.00 N ATOM 1175 CA LYS A 76 4.944 -0.822 -13.807 1.00 0.00 C ATOM 1176 C LYS A 76 6.379 -1.327 -13.644 1.00 0.00 C ATOM 1177 O LYS A 76 6.919 -1.972 -14.541 1.00 0.00 O ATOM 1178 CB LYS A 76 4.767 0.169 -14.959 1.00 0.00 C ATOM 1179 CG LYS A 76 3.460 0.950 -14.814 1.00 0.00 C ATOM 1180 CD LYS A 76 2.857 1.270 -16.184 1.00 0.00 C ATOM 1181 CE LYS A 76 3.558 2.469 -16.825 1.00 0.00 C ATOM 1182 NZ LYS A 76 4.361 2.038 -17.991 1.00 0.00 N ATOM 0 H LYS A 76 3.962 -0.861 -11.956 1.00 0.00 H new ATOM 0 HA LYS A 76 4.330 -1.685 -14.063 1.00 0.00 H new ATOM 0 HB2 LYS A 76 5.608 0.862 -14.980 1.00 0.00 H new ATOM 0 HB3 LYS A 76 4.771 -0.367 -15.908 1.00 0.00 H new ATOM 0 HG2 LYS A 76 2.749 0.370 -14.226 1.00 0.00 H new ATOM 0 HG3 LYS A 76 3.644 1.876 -14.269 1.00 0.00 H new ATOM 0 HD2 LYS A 76 2.946 0.401 -16.836 1.00 0.00 H new ATOM 0 HD3 LYS A 76 1.793 1.481 -16.077 1.00 0.00 H new ATOM 0 HE2 LYS A 76 2.818 3.206 -17.138 1.00 0.00 H new ATOM 0 HE3 LYS A 76 4.202 2.956 -16.092 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 4.830 2.864 -18.414 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 5.079 1.352 -17.683 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 3.739 1.594 -18.696 1.00 0.00 H new ATOM 1196 N GLY A 77 6.956 -1.014 -12.493 1.00 0.00 N ATOM 1197 CA GLY A 77 8.318 -1.428 -12.202 1.00 0.00 C ATOM 1198 C GLY A 77 9.137 -0.262 -11.645 1.00 0.00 C ATOM 1199 O GLY A 77 10.135 -0.473 -10.957 1.00 0.00 O ATOM 0 H GLY A 77 6.505 -0.479 -11.751 1.00 0.00 H new ATOM 0 HA2 GLY A 77 8.307 -2.246 -11.482 1.00 0.00 H new ATOM 0 HA3 GLY A 77 8.789 -1.807 -13.109 1.00 0.00 H new ATOM 1203 N MET A 78 8.685 0.943 -11.962 1.00 0.00 N ATOM 1204 CA MET A 78 9.364 2.142 -11.502 1.00 0.00 C ATOM 1205 C MET A 78 8.739 2.663 -10.207 1.00 0.00 C ATOM 1206 O MET A 78 7.525 2.584 -10.023 1.00 0.00 O ATOM 1207 CB MET A 78 9.279 3.223 -12.582 1.00 0.00 C ATOM 1208 CG MET A 78 7.823 3.576 -12.890 1.00 0.00 C ATOM 1209 SD MET A 78 7.745 5.115 -13.791 1.00 0.00 S ATOM 1210 CE MET A 78 6.776 6.091 -12.654 1.00 0.00 C ATOM 0 H MET A 78 7.857 1.114 -12.532 1.00 0.00 H new ATOM 0 HA MET A 78 10.407 1.894 -11.305 1.00 0.00 H new ATOM 0 HB2 MET A 78 9.811 4.115 -12.252 1.00 0.00 H new ATOM 0 HB3 MET A 78 9.773 2.875 -13.490 1.00 0.00 H new ATOM 0 HG2 MET A 78 7.363 2.779 -13.474 1.00 0.00 H new ATOM 0 HG3 MET A 78 7.256 3.659 -11.963 1.00 0.00 H new ATOM 0 HE1 MET A 78 6.631 7.090 -13.064 1.00 0.00 H new ATOM 0 HE2 MET A 78 5.806 5.617 -12.503 1.00 0.00 H new ATOM 0 HE3 MET A 78 7.298 6.163 -11.700 1.00 0.00 H new ATOM 1220 N VAL A 79 9.596 3.185 -9.342 1.00 0.00 N ATOM 1221 CA VAL A 79 9.143 3.720 -8.069 1.00 0.00 C ATOM 1222 C VAL A 79 8.350 5.005 -8.313 1.00 0.00 C ATOM 1223 O VAL A 79 8.850 5.937 -8.942 1.00 0.00 O ATOM 1224 CB VAL A 79 10.336 3.922 -7.132 1.00 0.00 C ATOM 1225 CG1 VAL A 79 9.945 4.773 -5.922 1.00 0.00 C ATOM 1226 CG2 VAL A 79 10.921 2.579 -6.691 1.00 0.00 C ATOM 0 H VAL A 79 10.602 3.249 -9.498 1.00 0.00 H new ATOM 0 HA VAL A 79 8.474 3.015 -7.575 1.00 0.00 H new ATOM 0 HB VAL A 79 11.108 4.458 -7.684 1.00 0.00 H new ATOM 0 HG11 VAL A 79 10.811 4.901 -5.272 1.00 0.00 H new ATOM 0 HG12 VAL A 79 9.598 5.749 -6.261 1.00 0.00 H new ATOM 0 HG13 VAL A 79 9.148 4.276 -5.370 1.00 0.00 H new ATOM 0 HG21 VAL A 79 11.767 2.752 -6.026 1.00 0.00 H new ATOM 0 HG22 VAL A 79 10.158 2.005 -6.166 1.00 0.00 H new ATOM 0 HG23 VAL A 79 11.255 2.023 -7.567 1.00 0.00 H new ATOM 1236 N PHE A 80 7.127 5.014 -7.804 1.00 0.00 N ATOM 1237 CA PHE A 80 6.260 6.169 -7.959 1.00 0.00 C ATOM 1238 C PHE A 80 6.417 7.135 -6.782 1.00 0.00 C ATOM 1239 O PHE A 80 6.445 8.350 -6.971 1.00 0.00 O ATOM 1240 CB PHE A 80 4.822 5.649 -7.988 1.00 0.00 C ATOM 1241 CG PHE A 80 3.766 6.745 -8.143 1.00 0.00 C ATOM 1242 CD1 PHE A 80 3.921 7.709 -9.090 1.00 0.00 C ATOM 1243 CD2 PHE A 80 2.673 6.756 -7.334 1.00 0.00 C ATOM 1244 CE1 PHE A 80 2.941 8.727 -9.234 1.00 0.00 C ATOM 1245 CE2 PHE A 80 1.693 7.774 -7.478 1.00 0.00 C ATOM 1246 CZ PHE A 80 1.848 8.738 -8.425 1.00 0.00 C ATOM 0 H PHE A 80 6.716 4.239 -7.284 1.00 0.00 H new ATOM 0 HA PHE A 80 6.517 6.706 -8.872 1.00 0.00 H new ATOM 0 HB2 PHE A 80 4.719 4.941 -8.810 1.00 0.00 H new ATOM 0 HB3 PHE A 80 4.627 5.099 -7.068 1.00 0.00 H new ATOM 0 HD1 PHE A 80 4.789 7.700 -9.732 1.00 0.00 H new ATOM 0 HD2 PHE A 80 2.550 5.991 -6.582 1.00 0.00 H new ATOM 0 HE1 PHE A 80 3.064 9.492 -9.986 1.00 0.00 H new ATOM 0 HE2 PHE A 80 0.825 7.783 -6.836 1.00 0.00 H new ATOM 0 HZ PHE A 80 1.103 9.512 -8.534 1.00 0.00 H new ATOM 1256 N TYR A 81 6.516 6.558 -5.594 1.00 0.00 N ATOM 1257 CA TYR A 81 6.670 7.352 -4.387 1.00 0.00 C ATOM 1258 C TYR A 81 7.070 6.473 -3.200 1.00 0.00 C ATOM 1259 O TYR A 81 6.813 5.270 -3.199 1.00 0.00 O ATOM 1260 CB TYR A 81 5.297 7.968 -4.110 1.00 0.00 C ATOM 1261 CG TYR A 81 4.999 9.220 -4.937 1.00 0.00 C ATOM 1262 CD1 TYR A 81 5.861 10.297 -4.893 1.00 0.00 C ATOM 1263 CD2 TYR A 81 3.868 9.272 -5.727 1.00 0.00 C ATOM 1264 CE1 TYR A 81 5.580 11.476 -5.672 1.00 0.00 C ATOM 1265 CE2 TYR A 81 3.588 10.451 -6.505 1.00 0.00 C ATOM 1266 CZ TYR A 81 4.458 11.494 -6.439 1.00 0.00 C ATOM 1267 OH TYR A 81 4.193 12.608 -7.174 1.00 0.00 O ATOM 0 H TYR A 81 6.493 5.550 -5.441 1.00 0.00 H new ATOM 0 HA TYR A 81 7.447 8.105 -4.519 1.00 0.00 H new ATOM 0 HB2 TYR A 81 4.528 7.222 -4.310 1.00 0.00 H new ATOM 0 HB3 TYR A 81 5.230 8.220 -3.052 1.00 0.00 H new ATOM 0 HD1 TYR A 81 6.746 10.256 -4.275 1.00 0.00 H new ATOM 0 HD2 TYR A 81 3.194 8.429 -5.761 1.00 0.00 H new ATOM 0 HE1 TYR A 81 6.246 12.326 -5.647 1.00 0.00 H new ATOM 0 HE2 TYR A 81 2.707 10.506 -7.127 1.00 0.00 H new ATOM 0 HH TYR A 81 3.360 12.479 -7.674 1.00 0.00 H new ATOM 1277 N VAL A 82 7.692 7.108 -2.218 1.00 0.00 N ATOM 1278 CA VAL A 82 8.130 6.399 -1.027 1.00 0.00 C ATOM 1279 C VAL A 82 7.070 6.544 0.066 1.00 0.00 C ATOM 1280 O VAL A 82 6.236 7.447 0.012 1.00 0.00 O ATOM 1281 CB VAL A 82 9.508 6.905 -0.595 1.00 0.00 C ATOM 1282 CG1 VAL A 82 10.109 6.002 0.485 1.00 0.00 C ATOM 1283 CG2 VAL A 82 10.449 7.026 -1.795 1.00 0.00 C ATOM 0 H VAL A 82 7.903 8.106 -2.222 1.00 0.00 H new ATOM 0 HA VAL A 82 8.239 5.334 -1.234 1.00 0.00 H new ATOM 0 HB VAL A 82 9.381 7.900 -0.168 1.00 0.00 H new ATOM 0 HG11 VAL A 82 11.088 6.383 0.775 1.00 0.00 H new ATOM 0 HG12 VAL A 82 9.453 5.989 1.355 1.00 0.00 H new ATOM 0 HG13 VAL A 82 10.215 4.990 0.095 1.00 0.00 H new ATOM 0 HG21 VAL A 82 11.421 7.388 -1.460 1.00 0.00 H new ATOM 0 HG22 VAL A 82 10.567 6.049 -2.265 1.00 0.00 H new ATOM 0 HG23 VAL A 82 10.030 7.727 -2.517 1.00 0.00 H new ATOM 1293 N PHE A 83 7.136 5.641 1.034 1.00 0.00 N ATOM 1294 CA PHE A 83 6.193 5.657 2.138 1.00 0.00 C ATOM 1295 C PHE A 83 6.798 5.010 3.386 1.00 0.00 C ATOM 1296 O PHE A 83 7.313 3.895 3.324 1.00 0.00 O ATOM 1297 CB PHE A 83 4.974 4.844 1.697 1.00 0.00 C ATOM 1298 CG PHE A 83 4.088 5.556 0.673 1.00 0.00 C ATOM 1299 CD1 PHE A 83 3.313 6.605 1.057 1.00 0.00 C ATOM 1300 CD2 PHE A 83 4.077 5.140 -0.622 1.00 0.00 C ATOM 1301 CE1 PHE A 83 2.491 7.266 0.106 1.00 0.00 C ATOM 1302 CE2 PHE A 83 3.255 5.801 -1.573 1.00 0.00 C ATOM 1303 CZ PHE A 83 2.480 6.850 -1.189 1.00 0.00 C ATOM 0 H PHE A 83 7.829 4.893 1.076 1.00 0.00 H new ATOM 0 HA PHE A 83 5.929 6.685 2.386 1.00 0.00 H new ATOM 0 HB2 PHE A 83 5.314 3.899 1.273 1.00 0.00 H new ATOM 0 HB3 PHE A 83 4.375 4.602 2.575 1.00 0.00 H new ATOM 0 HD1 PHE A 83 3.322 6.936 2.085 1.00 0.00 H new ATOM 0 HD2 PHE A 83 4.693 4.307 -0.927 1.00 0.00 H new ATOM 0 HE1 PHE A 83 1.875 8.099 0.411 1.00 0.00 H new ATOM 0 HE2 PHE A 83 3.246 5.470 -2.601 1.00 0.00 H new ATOM 0 HZ PHE A 83 1.855 7.353 -1.912 1.00 0.00 H new ATOM 1313 N LYS A 84 6.716 5.738 4.490 1.00 0.00 N ATOM 1314 CA LYS A 84 7.249 5.250 5.750 1.00 0.00 C ATOM 1315 C LYS A 84 6.091 4.918 6.694 1.00 0.00 C ATOM 1316 O LYS A 84 5.157 5.706 6.837 1.00 0.00 O ATOM 1317 CB LYS A 84 8.250 6.250 6.332 1.00 0.00 C ATOM 1318 CG LYS A 84 8.585 5.907 7.785 1.00 0.00 C ATOM 1319 CD LYS A 84 9.303 7.071 8.471 1.00 0.00 C ATOM 1320 CE LYS A 84 10.642 6.620 9.058 1.00 0.00 C ATOM 1321 NZ LYS A 84 11.134 7.607 10.046 1.00 0.00 N ATOM 0 H LYS A 84 6.288 6.663 4.538 1.00 0.00 H new ATOM 0 HA LYS A 84 7.809 4.328 5.595 1.00 0.00 H new ATOM 0 HB2 LYS A 84 9.162 6.247 5.734 1.00 0.00 H new ATOM 0 HB3 LYS A 84 7.837 7.257 6.278 1.00 0.00 H new ATOM 0 HG2 LYS A 84 7.669 5.670 8.327 1.00 0.00 H new ATOM 0 HG3 LYS A 84 9.214 5.017 7.817 1.00 0.00 H new ATOM 0 HD2 LYS A 84 9.469 7.874 7.753 1.00 0.00 H new ATOM 0 HD3 LYS A 84 8.673 7.476 9.263 1.00 0.00 H new ATOM 0 HE2 LYS A 84 10.527 5.646 9.534 1.00 0.00 H new ATOM 0 HE3 LYS A 84 11.374 6.500 8.259 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 12.044 7.285 10.435 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 11.262 8.529 9.582 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 10.442 7.701 10.817 1.00 0.00 H new ATOM 1335 N ALA A 85 6.191 3.751 7.314 1.00 0.00 N ATOM 1336 CA ALA A 85 5.164 3.306 8.240 1.00 0.00 C ATOM 1337 C ALA A 85 5.668 3.478 9.675 1.00 0.00 C ATOM 1338 O ALA A 85 6.874 3.497 9.915 1.00 0.00 O ATOM 1339 CB ALA A 85 4.786 1.857 7.926 1.00 0.00 C ATOM 0 H ALA A 85 6.967 3.101 7.193 1.00 0.00 H new ATOM 0 HA ALA A 85 4.263 3.909 8.132 1.00 0.00 H new ATOM 0 HB1 ALA A 85 4.015 1.523 8.621 1.00 0.00 H new ATOM 0 HB2 ALA A 85 4.407 1.793 6.906 1.00 0.00 H new ATOM 0 HB3 ALA A 85 5.666 1.221 8.027 1.00 0.00 H new ATOM 1345 N ASP A 86 4.718 3.601 10.591 1.00 0.00 N ATOM 1346 CA ASP A 86 5.051 3.771 11.995 1.00 0.00 C ATOM 1347 C ASP A 86 6.153 2.782 12.377 1.00 0.00 C ATOM 1348 O ASP A 86 7.320 3.156 12.481 1.00 0.00 O ATOM 1349 CB ASP A 86 3.838 3.495 12.885 1.00 0.00 C ATOM 1350 CG ASP A 86 2.988 4.722 13.220 1.00 0.00 C ATOM 1351 OD1 ASP A 86 2.162 5.093 12.357 1.00 0.00 O ATOM 1352 OD2 ASP A 86 3.182 5.262 14.330 1.00 0.00 O ATOM 0 H ASP A 86 3.718 3.586 10.388 1.00 0.00 H new ATOM 0 HA ASP A 86 5.380 4.800 12.142 1.00 0.00 H new ATOM 0 HB2 ASP A 86 3.205 2.757 12.392 1.00 0.00 H new ATOM 0 HB3 ASP A 86 4.184 3.047 13.816 1.00 0.00 H new ATOM 1357 N ASP A 87 5.744 1.537 12.577 1.00 0.00 N ATOM 1358 CA ASP A 87 6.683 0.491 12.946 1.00 0.00 C ATOM 1359 C ASP A 87 6.772 -0.531 11.811 1.00 0.00 C ATOM 1360 O ASP A 87 6.154 -0.355 10.762 1.00 0.00 O ATOM 1361 CB ASP A 87 6.223 -0.242 14.207 1.00 0.00 C ATOM 1362 CG ASP A 87 5.919 0.660 15.405 1.00 0.00 C ATOM 1363 OD1 ASP A 87 6.609 1.695 15.525 1.00 0.00 O ATOM 1364 OD2 ASP A 87 5.003 0.294 16.173 1.00 0.00 O ATOM 0 H ASP A 87 4.775 1.230 12.490 1.00 0.00 H new ATOM 0 HA ASP A 87 7.651 0.957 13.132 1.00 0.00 H new ATOM 0 HB2 ASP A 87 5.329 -0.818 13.969 1.00 0.00 H new ATOM 0 HB3 ASP A 87 6.994 -0.956 14.496 1.00 0.00 H new ATOM 1369 N ALA A 88 7.546 -1.577 12.059 1.00 0.00 N ATOM 1370 CA ALA A 88 7.724 -2.628 11.071 1.00 0.00 C ATOM 1371 C ALA A 88 6.387 -3.333 10.836 1.00 0.00 C ATOM 1372 O ALA A 88 5.999 -3.570 9.693 1.00 0.00 O ATOM 1373 CB ALA A 88 8.817 -3.591 11.541 1.00 0.00 C ATOM 0 H ALA A 88 8.057 -1.720 12.930 1.00 0.00 H new ATOM 0 HA ALA A 88 8.047 -2.208 10.118 1.00 0.00 H new ATOM 0 HB1 ALA A 88 8.951 -4.379 10.800 1.00 0.00 H new ATOM 0 HB2 ALA A 88 9.753 -3.047 11.664 1.00 0.00 H new ATOM 0 HB3 ALA A 88 8.527 -4.034 12.494 1.00 0.00 H new ATOM 1379 N HIS A 89 5.720 -3.649 11.936 1.00 0.00 N ATOM 1380 CA HIS A 89 4.435 -4.323 11.865 1.00 0.00 C ATOM 1381 C HIS A 89 3.520 -3.580 10.888 1.00 0.00 C ATOM 1382 O HIS A 89 2.924 -4.192 10.003 1.00 0.00 O ATOM 1383 CB HIS A 89 3.820 -4.470 13.258 1.00 0.00 C ATOM 1384 CG HIS A 89 3.822 -5.885 13.784 1.00 0.00 C ATOM 1385 ND1 HIS A 89 2.835 -6.803 13.470 1.00 0.00 N ATOM 1386 CD2 HIS A 89 4.701 -6.530 14.603 1.00 0.00 C ATOM 1387 CE1 HIS A 89 3.116 -7.945 14.079 1.00 0.00 C ATOM 1388 NE2 HIS A 89 4.273 -7.774 14.782 1.00 0.00 N ATOM 0 H HIS A 89 6.046 -3.451 12.882 1.00 0.00 H new ATOM 0 HA HIS A 89 4.572 -5.335 11.484 1.00 0.00 H new ATOM 0 HB2 HIS A 89 4.367 -3.834 13.954 1.00 0.00 H new ATOM 0 HB3 HIS A 89 2.793 -4.105 13.231 1.00 0.00 H new ATOM 0 HD2 HIS A 89 5.594 -6.101 15.033 1.00 0.00 H new ATOM 0 HE1 HIS A 89 2.532 -8.852 14.028 1.00 0.00 H new ATOM 0 HE2 HIS A 89 4.733 -8.485 15.351 1.00 0.00 H new ATOM 1396 N SER A 90 3.438 -2.272 11.083 1.00 0.00 N ATOM 1397 CA SER A 90 2.606 -1.440 10.231 1.00 0.00 C ATOM 1398 C SER A 90 3.035 -1.592 8.770 1.00 0.00 C ATOM 1399 O SER A 90 2.229 -1.961 7.918 1.00 0.00 O ATOM 1400 CB SER A 90 2.679 0.029 10.655 1.00 0.00 C ATOM 1401 OG SER A 90 1.953 0.274 11.856 1.00 0.00 O ATOM 0 H SER A 90 3.934 -1.768 11.818 1.00 0.00 H new ATOM 0 HA SER A 90 1.572 -1.770 10.336 1.00 0.00 H new ATOM 0 HB2 SER A 90 3.721 0.314 10.797 1.00 0.00 H new ATOM 0 HB3 SER A 90 2.283 0.657 9.857 1.00 0.00 H new ATOM 0 HG SER A 90 1.614 1.194 11.852 1.00 0.00 H new ATOM 1407 N THR A 91 4.304 -1.301 8.527 1.00 0.00 N ATOM 1408 CA THR A 91 4.851 -1.402 7.184 1.00 0.00 C ATOM 1409 C THR A 91 4.290 -2.634 6.471 1.00 0.00 C ATOM 1410 O THR A 91 3.693 -2.518 5.402 1.00 0.00 O ATOM 1411 CB THR A 91 6.377 -1.405 7.293 1.00 0.00 C ATOM 1412 OG1 THR A 91 6.676 -0.206 8.003 1.00 0.00 O ATOM 1413 CG2 THR A 91 7.061 -1.216 5.938 1.00 0.00 C ATOM 0 H THR A 91 4.970 -0.995 9.237 1.00 0.00 H new ATOM 0 HA THR A 91 4.557 -0.549 6.572 1.00 0.00 H new ATOM 0 HB THR A 91 6.707 -2.343 7.738 1.00 0.00 H new ATOM 0 HG1 THR A 91 6.623 -0.375 8.967 1.00 0.00 H new ATOM 0 HG21 THR A 91 8.143 -1.226 6.072 1.00 0.00 H new ATOM 0 HG22 THR A 91 6.771 -2.025 5.268 1.00 0.00 H new ATOM 0 HG23 THR A 91 6.757 -0.262 5.507 1.00 0.00 H new ATOM 1421 N GLN A 92 4.502 -3.785 7.091 1.00 0.00 N ATOM 1422 CA GLN A 92 4.026 -5.037 6.529 1.00 0.00 C ATOM 1423 C GLN A 92 2.558 -4.909 6.117 1.00 0.00 C ATOM 1424 O GLN A 92 2.180 -5.314 5.019 1.00 0.00 O ATOM 1425 CB GLN A 92 4.220 -6.190 7.516 1.00 0.00 C ATOM 1426 CG GLN A 92 5.700 -6.555 7.648 1.00 0.00 C ATOM 1427 CD GLN A 92 6.200 -7.277 6.396 1.00 0.00 C ATOM 1428 OE1 GLN A 92 6.730 -6.470 5.481 1.00 0.00 O flip ATOM 1429 NE2 GLN A 92 6.112 -8.487 6.268 1.00 0.00 N flip ATOM 0 H GLN A 92 4.997 -3.877 7.978 1.00 0.00 H new ATOM 0 HA GLN A 92 4.615 -5.261 5.640 1.00 0.00 H new ATOM 0 HB2 GLN A 92 3.823 -5.909 8.491 1.00 0.00 H new ATOM 0 HB3 GLN A 92 3.656 -7.060 7.180 1.00 0.00 H new ATOM 0 HG2 GLN A 92 6.288 -5.652 7.810 1.00 0.00 H new ATOM 0 HG3 GLN A 92 5.845 -7.191 8.521 1.00 0.00 H new ATOM 0 HE21 GLN A 92 5.694 -9.049 7.009 1.00 0.00 H new ATOM 0 HE22 GLN A 92 6.457 -8.937 5.420 1.00 0.00 H new ATOM 1438 N ARG A 93 1.770 -4.345 7.021 1.00 0.00 N ATOM 1439 CA ARG A 93 0.352 -4.159 6.765 1.00 0.00 C ATOM 1440 C ARG A 93 0.145 -3.346 5.485 1.00 0.00 C ATOM 1441 O ARG A 93 -0.513 -3.806 4.553 1.00 0.00 O ATOM 1442 CB ARG A 93 -0.329 -3.441 7.932 1.00 0.00 C ATOM 1443 CG ARG A 93 -0.141 -4.217 9.237 1.00 0.00 C ATOM 1444 CD ARG A 93 -1.355 -4.051 10.154 1.00 0.00 C ATOM 1445 NE ARG A 93 -0.977 -3.284 11.361 1.00 0.00 N ATOM 1446 CZ ARG A 93 -1.809 -3.026 12.379 1.00 0.00 C ATOM 1447 NH1 ARG A 93 -3.072 -3.473 12.341 1.00 0.00 N ATOM 1448 NH2 ARG A 93 -1.379 -2.322 13.435 1.00 0.00 N ATOM 0 H ARG A 93 2.087 -4.011 7.931 1.00 0.00 H new ATOM 0 HA ARG A 93 -0.096 -5.146 6.649 1.00 0.00 H new ATOM 0 HB2 ARG A 93 0.085 -2.438 8.038 1.00 0.00 H new ATOM 0 HB3 ARG A 93 -1.393 -3.327 7.723 1.00 0.00 H new ATOM 0 HG2 ARG A 93 0.011 -5.274 9.017 1.00 0.00 H new ATOM 0 HG3 ARG A 93 0.756 -3.865 9.747 1.00 0.00 H new ATOM 0 HD2 ARG A 93 -2.155 -3.536 9.622 1.00 0.00 H new ATOM 0 HD3 ARG A 93 -1.741 -5.029 10.441 1.00 0.00 H new ATOM 0 HE ARG A 93 -0.023 -2.929 11.422 1.00 0.00 H new ATOM 0 HH11 ARG A 93 -3.399 -4.009 11.537 1.00 0.00 H new ATOM 0 HH12 ARG A 93 -3.706 -3.277 13.116 1.00 0.00 H new ATOM 0 HH21 ARG A 93 -0.418 -1.982 13.464 1.00 0.00 H new ATOM 0 HH22 ARG A 93 -2.013 -2.126 14.210 1.00 0.00 H new ATOM 1462 N TRP A 94 0.720 -2.153 5.481 1.00 0.00 N ATOM 1463 CA TRP A 94 0.608 -1.272 4.331 1.00 0.00 C ATOM 1464 C TRP A 94 1.097 -2.037 3.100 1.00 0.00 C ATOM 1465 O TRP A 94 0.454 -2.009 2.052 1.00 0.00 O ATOM 1466 CB TRP A 94 1.369 0.035 4.565 1.00 0.00 C ATOM 1467 CG TRP A 94 0.580 1.083 5.352 1.00 0.00 C ATOM 1468 CD1 TRP A 94 0.735 1.440 6.634 1.00 0.00 C ATOM 1469 CD2 TRP A 94 -0.500 1.900 4.853 1.00 0.00 C ATOM 1470 NE1 TRP A 94 -0.163 2.424 6.997 1.00 0.00 N ATOM 1471 CE2 TRP A 94 -0.938 2.712 5.879 1.00 0.00 C ATOM 1472 CE3 TRP A 94 -1.088 1.950 3.577 1.00 0.00 C ATOM 1473 CZ2 TRP A 94 -1.982 3.634 5.735 1.00 0.00 C ATOM 1474 CZ3 TRP A 94 -2.130 2.877 3.449 1.00 0.00 C ATOM 1475 CH2 TRP A 94 -2.582 3.702 4.473 1.00 0.00 C ATOM 0 H TRP A 94 1.265 -1.775 6.256 1.00 0.00 H new ATOM 0 HA TRP A 94 -0.429 -0.979 4.169 1.00 0.00 H new ATOM 0 HB2 TRP A 94 2.293 -0.185 5.099 1.00 0.00 H new ATOM 0 HB3 TRP A 94 1.651 0.457 3.600 1.00 0.00 H new ATOM 0 HD1 TRP A 94 1.470 1.012 7.300 1.00 0.00 H new ATOM 0 HE1 TRP A 94 -0.243 2.859 7.916 1.00 0.00 H new ATOM 0 HE3 TRP A 94 -0.762 1.323 2.760 1.00 0.00 H new ATOM 0 HZ2 TRP A 94 -2.307 4.259 6.554 1.00 0.00 H new ATOM 0 HZ3 TRP A 94 -2.616 2.957 2.488 1.00 0.00 H new ATOM 0 HH2 TRP A 94 -3.393 4.393 4.295 1.00 0.00 H new ATOM 1486 N ILE A 95 2.231 -2.701 3.267 1.00 0.00 N ATOM 1487 CA ILE A 95 2.813 -3.472 2.182 1.00 0.00 C ATOM 1488 C ILE A 95 1.769 -4.449 1.638 1.00 0.00 C ATOM 1489 O ILE A 95 1.272 -4.276 0.526 1.00 0.00 O ATOM 1490 CB ILE A 95 4.107 -4.148 2.640 1.00 0.00 C ATOM 1491 CG1 ILE A 95 5.257 -3.141 2.713 1.00 0.00 C ATOM 1492 CG2 ILE A 95 4.448 -5.343 1.747 1.00 0.00 C ATOM 1493 CD1 ILE A 95 6.536 -3.804 3.226 1.00 0.00 C ATOM 0 H ILE A 95 2.762 -2.721 4.137 1.00 0.00 H new ATOM 0 HA ILE A 95 3.096 -2.816 1.358 1.00 0.00 H new ATOM 0 HB ILE A 95 3.952 -4.533 3.648 1.00 0.00 H new ATOM 0 HG12 ILE A 95 5.435 -2.715 1.726 1.00 0.00 H new ATOM 0 HG13 ILE A 95 4.982 -2.317 3.371 1.00 0.00 H new ATOM 0 HG21 ILE A 95 5.372 -5.805 2.095 1.00 0.00 H new ATOM 0 HG22 ILE A 95 3.639 -6.072 1.790 1.00 0.00 H new ATOM 0 HG23 ILE A 95 4.576 -5.004 0.719 1.00 0.00 H new ATOM 0 HD11 ILE A 95 7.337 -3.066 3.268 1.00 0.00 H new ATOM 0 HD12 ILE A 95 6.362 -4.207 4.223 1.00 0.00 H new ATOM 0 HD13 ILE A 95 6.822 -4.612 2.553 1.00 0.00 H new ATOM 1505 N ASP A 96 1.466 -5.453 2.447 1.00 0.00 N ATOM 1506 CA ASP A 96 0.489 -6.457 2.061 1.00 0.00 C ATOM 1507 C ASP A 96 -0.800 -5.764 1.617 1.00 0.00 C ATOM 1508 O ASP A 96 -1.487 -6.240 0.715 1.00 0.00 O ATOM 1509 CB ASP A 96 0.152 -7.378 3.235 1.00 0.00 C ATOM 1510 CG ASP A 96 -0.231 -8.808 2.846 1.00 0.00 C ATOM 1511 OD1 ASP A 96 -1.219 -8.945 2.093 1.00 0.00 O ATOM 1512 OD2 ASP A 96 0.472 -9.730 3.311 1.00 0.00 O ATOM 0 H ASP A 96 1.880 -5.593 3.369 1.00 0.00 H new ATOM 0 HA ASP A 96 0.915 -7.048 1.251 1.00 0.00 H new ATOM 0 HB2 ASP A 96 1.011 -7.417 3.905 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -0.671 -6.938 3.798 1.00 0.00 H new ATOM 1517 N ALA A 97 -1.091 -4.650 2.273 1.00 0.00 N ATOM 1518 CA ALA A 97 -2.287 -3.887 1.959 1.00 0.00 C ATOM 1519 C ALA A 97 -2.193 -3.371 0.521 1.00 0.00 C ATOM 1520 O ALA A 97 -3.189 -3.352 -0.201 1.00 0.00 O ATOM 1521 CB ALA A 97 -2.452 -2.754 2.974 1.00 0.00 C ATOM 0 H ALA A 97 -0.519 -4.258 3.021 1.00 0.00 H new ATOM 0 HA ALA A 97 -3.173 -4.518 2.027 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -3.349 -2.182 2.738 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -2.542 -3.173 3.976 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -1.582 -2.098 2.932 1.00 0.00 H new ATOM 1527 N PHE A 98 -0.988 -2.966 0.149 1.00 0.00 N ATOM 1528 CA PHE A 98 -0.752 -2.452 -1.190 1.00 0.00 C ATOM 1529 C PHE A 98 -0.540 -3.593 -2.186 1.00 0.00 C ATOM 1530 O PHE A 98 -0.801 -3.438 -3.378 1.00 0.00 O ATOM 1531 CB PHE A 98 0.520 -1.604 -1.125 1.00 0.00 C ATOM 1532 CG PHE A 98 0.272 -0.135 -0.779 1.00 0.00 C ATOM 1533 CD1 PHE A 98 -0.452 0.650 -1.621 1.00 0.00 C ATOM 1534 CD2 PHE A 98 0.775 0.387 0.372 1.00 0.00 C ATOM 1535 CE1 PHE A 98 -0.683 2.014 -1.299 1.00 0.00 C ATOM 1536 CE2 PHE A 98 0.544 1.751 0.694 1.00 0.00 C ATOM 1537 CZ PHE A 98 -0.179 2.535 -0.149 1.00 0.00 C ATOM 0 H PHE A 98 -0.165 -2.983 0.751 1.00 0.00 H new ATOM 0 HA PHE A 98 -1.612 -1.871 -1.523 1.00 0.00 H new ATOM 0 HB2 PHE A 98 1.193 -2.033 -0.382 1.00 0.00 H new ATOM 0 HB3 PHE A 98 1.030 -1.659 -2.087 1.00 0.00 H new ATOM 0 HD1 PHE A 98 -0.852 0.236 -2.535 1.00 0.00 H new ATOM 0 HD2 PHE A 98 1.350 -0.236 1.041 1.00 0.00 H new ATOM 0 HE1 PHE A 98 -1.259 2.637 -1.967 1.00 0.00 H new ATOM 0 HE2 PHE A 98 0.943 2.165 1.608 1.00 0.00 H new ATOM 0 HZ PHE A 98 -0.353 3.573 0.095 1.00 0.00 H new ATOM 1547 N GLN A 99 -0.068 -4.714 -1.661 1.00 0.00 N ATOM 1548 CA GLN A 99 0.183 -5.882 -2.489 1.00 0.00 C ATOM 1549 C GLN A 99 -1.135 -6.577 -2.838 1.00 0.00 C ATOM 1550 O GLN A 99 -1.366 -6.933 -3.993 1.00 0.00 O ATOM 1551 CB GLN A 99 1.147 -6.848 -1.798 1.00 0.00 C ATOM 1552 CG GLN A 99 2.583 -6.623 -2.275 1.00 0.00 C ATOM 1553 CD GLN A 99 2.777 -7.147 -3.700 1.00 0.00 C ATOM 1554 OE1 GLN A 99 2.221 -8.157 -4.098 1.00 0.00 O ATOM 1555 NE2 GLN A 99 3.593 -6.405 -4.442 1.00 0.00 N ATOM 0 H GLN A 99 0.147 -4.839 -0.672 1.00 0.00 H new ATOM 0 HA GLN A 99 0.654 -5.553 -3.415 1.00 0.00 H new ATOM 0 HB2 GLN A 99 1.093 -6.711 -0.718 1.00 0.00 H new ATOM 0 HB3 GLN A 99 0.848 -7.876 -2.004 1.00 0.00 H new ATOM 0 HG2 GLN A 99 2.819 -5.559 -2.240 1.00 0.00 H new ATOM 0 HG3 GLN A 99 3.277 -7.126 -1.601 1.00 0.00 H new ATOM 0 HE21 GLN A 99 4.026 -5.571 -4.046 1.00 0.00 H new ATOM 0 HE22 GLN A 99 3.786 -6.670 -5.408 1.00 0.00 H new ATOM 1564 N GLU A 100 -1.963 -6.750 -1.819 1.00 0.00 N ATOM 1565 CA GLU A 100 -3.251 -7.397 -2.004 1.00 0.00 C ATOM 1566 C GLU A 100 -4.218 -6.458 -2.729 1.00 0.00 C ATOM 1567 O GLU A 100 -5.340 -6.845 -3.050 1.00 0.00 O ATOM 1568 CB GLU A 100 -3.833 -7.853 -0.664 1.00 0.00 C ATOM 1569 CG GLU A 100 -3.760 -9.375 -0.525 1.00 0.00 C ATOM 1570 CD GLU A 100 -5.106 -9.950 -0.081 1.00 0.00 C ATOM 1571 OE1 GLU A 100 -6.063 -9.836 -0.878 1.00 0.00 O ATOM 1572 OE2 GLU A 100 -5.149 -10.491 1.045 1.00 0.00 O ATOM 0 H GLU A 100 -1.768 -6.454 -0.863 1.00 0.00 H new ATOM 0 HA GLU A 100 -3.104 -8.284 -2.621 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -3.286 -7.383 0.153 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -4.870 -7.526 -0.583 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -3.468 -9.817 -1.478 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -2.990 -9.641 0.199 1.00 0.00 H new ATOM 1579 N GLY A 101 -3.746 -5.243 -2.967 1.00 0.00 N ATOM 1580 CA GLY A 101 -4.554 -4.246 -3.649 1.00 0.00 C ATOM 1581 C GLY A 101 -4.426 -4.383 -5.167 1.00 0.00 C ATOM 1582 O GLY A 101 -5.423 -4.321 -5.885 1.00 0.00 O ATOM 0 H GLY A 101 -2.814 -4.926 -2.700 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -5.598 -4.357 -3.357 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -4.242 -3.248 -3.343 1.00 0.00 H new ATOM 1586 N THR A 102 -3.192 -4.566 -5.611 1.00 0.00 N ATOM 1587 CA THR A 102 -2.921 -4.712 -7.032 1.00 0.00 C ATOM 1588 C THR A 102 -3.394 -6.080 -7.527 1.00 0.00 C ATOM 1589 O THR A 102 -3.840 -6.212 -8.666 1.00 0.00 O ATOM 1590 CB THR A 102 -1.428 -4.467 -7.256 1.00 0.00 C ATOM 1591 OG1 THR A 102 -0.808 -5.669 -6.808 1.00 0.00 O ATOM 1592 CG2 THR A 102 -0.865 -3.389 -6.327 1.00 0.00 C ATOM 0 H THR A 102 -2.368 -4.617 -5.012 1.00 0.00 H new ATOM 0 HA THR A 102 -3.476 -3.980 -7.618 1.00 0.00 H new ATOM 0 HB THR A 102 -1.260 -4.176 -8.293 1.00 0.00 H new ATOM 0 HG1 THR A 102 -1.085 -5.856 -5.887 1.00 0.00 H new ATOM 0 HG21 THR A 102 0.198 -3.255 -6.528 1.00 0.00 H new ATOM 0 HG22 THR A 102 -1.389 -2.449 -6.501 1.00 0.00 H new ATOM 0 HG23 THR A 102 -1.003 -3.694 -5.290 1.00 0.00 H new ATOM 1600 N VAL A 103 -3.281 -7.064 -6.647 1.00 0.00 N ATOM 1601 CA VAL A 103 -3.691 -8.417 -6.980 1.00 0.00 C ATOM 1602 C VAL A 103 -5.166 -8.602 -6.619 1.00 0.00 C ATOM 1603 O VAL A 103 -5.883 -7.626 -6.404 1.00 0.00 O ATOM 1604 CB VAL A 103 -2.775 -9.428 -6.287 1.00 0.00 C ATOM 1605 CG1 VAL A 103 -1.314 -9.206 -6.685 1.00 0.00 C ATOM 1606 CG2 VAL A 103 -2.944 -9.369 -4.768 1.00 0.00 C ATOM 0 H VAL A 103 -2.911 -6.951 -5.703 1.00 0.00 H new ATOM 0 HA VAL A 103 -3.594 -8.592 -8.051 1.00 0.00 H new ATOM 0 HB VAL A 103 -3.065 -10.425 -6.618 1.00 0.00 H new ATOM 0 HG11 VAL A 103 -0.684 -9.937 -6.179 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -1.209 -9.321 -7.764 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -1.007 -8.201 -6.396 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -2.282 -10.097 -4.300 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -2.693 -8.370 -4.413 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -3.977 -9.598 -4.508 1.00 0.00 H new